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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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/U5-4c8d3ca5/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U5-4c8d3ca5/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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -597.082319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.082319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.082319 (E_RNA) where: Base-Base interactions energy: -232.550 where: short stacking energy: -211.595 Base-Backbone interact. energy: -2.466 local terms energy: -362.066663 where: bonds (distance) C4'-P energy: -89.577 bonds (distance) P-C4' energy: -99.897 flat angles C4'-P-C4' energy: -80.551 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: -39.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -501.134773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.134773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.134773 (E_RNA) where: Base-Base interactions energy: -187.790 where: short stacking energy: -144.345 Base-Backbone interact. energy: -0.126 local terms energy: -313.218918 where: bonds (distance) C4'-P energy: -71.870 bonds (distance) P-C4' energy: -95.222 flat angles C4'-P-C4' energy: -86.271 flat angles P-C4'-P energy: -54.329 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -643.927377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.927377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.927377 (E_RNA) where: Base-Base interactions energy: -263.790 where: short stacking energy: -225.463 Base-Backbone interact. energy: 0.907 local terms energy: -381.044592 where: bonds (distance) C4'-P energy: -75.978 bonds (distance) P-C4' energy: -99.387 flat angles C4'-P-C4' energy: -95.290 flat angles P-C4'-P energy: -66.988 tors. eta vs tors. theta energy: -43.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -621.557173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.557173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.557173 (E_RNA) where: Base-Base interactions energy: -272.186 where: short stacking energy: -208.980 Base-Backbone interact. energy: 0.291 local terms energy: -349.662260 where: bonds (distance) C4'-P energy: -84.123 bonds (distance) P-C4' energy: -93.392 flat angles C4'-P-C4' energy: -89.201 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -31.330 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: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -552.020489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.020489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.020489 (E_RNA) where: Base-Base interactions energy: -245.464 where: short stacking energy: -154.987 Base-Backbone interact. energy: -2.523 local terms energy: -304.032955 where: bonds (distance) C4'-P energy: -78.730 bonds (distance) P-C4' energy: -93.006 flat angles C4'-P-C4' energy: -89.590 flat angles P-C4'-P energy: -42.110 tors. eta vs tors. theta energy: -0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -833.713063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.713063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.713063 (E_RNA) where: Base-Base interactions energy: -416.954 where: short stacking energy: -264.614 Base-Backbone interact. energy: 0.432 local terms energy: -417.191218 where: bonds (distance) C4'-P energy: -98.667 bonds (distance) P-C4' energy: -94.104 flat angles C4'-P-C4' energy: -106.141 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -63.968 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -629.552927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.552927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.552927 (E_RNA) where: Base-Base interactions energy: -286.966 where: short stacking energy: -212.562 Base-Backbone interact. energy: -3.208 local terms energy: -339.378859 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -97.115 flat angles C4'-P-C4' energy: -78.520 flat angles P-C4'-P energy: -50.215 tors. eta vs tors. theta energy: -27.944 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -680.482235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.482235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.482235 (E_RNA) where: Base-Base interactions energy: -349.842 where: short stacking energy: -230.442 Base-Backbone interact. energy: 0.463 local terms energy: -331.103477 where: bonds (distance) C4'-P energy: -82.899 bonds (distance) P-C4' energy: -98.762 flat angles C4'-P-C4' energy: -67.110 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -36.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -621.357240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.357240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.357240 (E_RNA) where: Base-Base interactions energy: -293.298 where: short stacking energy: -181.866 Base-Backbone interact. energy: -0.039 local terms energy: -328.020013 where: bonds (distance) C4'-P energy: -91.402 bonds (distance) P-C4' energy: -80.346 flat angles C4'-P-C4' energy: -69.679 flat angles P-C4'-P energy: -56.519 tors. eta vs tors. theta energy: -30.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -846.760058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.760058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.760058 (E_RNA) where: Base-Base interactions energy: -453.868 where: short stacking energy: -293.854 Base-Backbone interact. energy: -0.993 local terms energy: -391.899339 where: bonds (distance) C4'-P energy: -83.177 bonds (distance) P-C4' energy: -97.703 flat angles C4'-P-C4' energy: -88.190 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -60.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -920.394356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.394356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.394356 (E_RNA) where: Base-Base interactions energy: -525.716 where: short stacking energy: -287.353 Base-Backbone interact. energy: 1.989 local terms energy: -396.667571 where: bonds (distance) C4'-P energy: -87.706 bonds (distance) P-C4' energy: -92.462 flat angles C4'-P-C4' energy: -87.724 flat angles P-C4'-P energy: -59.657 tors. eta vs tors. theta energy: -69.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -596.517979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.517979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.517979 (E_RNA) where: Base-Base interactions energy: -242.111 where: short stacking energy: -193.523 Base-Backbone interact. energy: -1.697 local terms energy: -352.710042 where: bonds (distance) C4'-P energy: -93.941 bonds (distance) P-C4' energy: -98.660 flat angles C4'-P-C4' energy: -83.887 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -29.759 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -598.196407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.196407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.196407 (E_RNA) where: Base-Base interactions energy: -247.098 where: short stacking energy: -198.044 Base-Backbone interact. energy: -0.941 local terms energy: -350.157623 where: bonds (distance) C4'-P energy: -82.357 bonds (distance) P-C4' energy: -94.840 flat angles C4'-P-C4' energy: -85.641 flat angles P-C4'-P energy: -58.287 tors. eta vs tors. theta energy: -29.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -976.159357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.159357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.159357 (E_RNA) where: Base-Base interactions energy: -576.112 where: short stacking energy: -310.035 Base-Backbone interact. energy: 0.069 local terms energy: -400.116768 where: bonds (distance) C4'-P energy: -95.947 bonds (distance) P-C4' energy: -85.763 flat angles C4'-P-C4' energy: -97.553 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -62.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -817.007056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.007056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.007056 (E_RNA) where: Base-Base interactions energy: -440.100 where: short stacking energy: -258.728 Base-Backbone interact. energy: 0.388 local terms energy: -377.295398 where: bonds (distance) C4'-P energy: -72.646 bonds (distance) P-C4' energy: -101.183 flat angles C4'-P-C4' energy: -88.044 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -61.204 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: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -638.638879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.638879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.638879 (E_RNA) where: Base-Base interactions energy: -297.122 where: short stacking energy: -196.453 Base-Backbone interact. energy: 5.809 local terms energy: -347.325970 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -92.281 flat angles C4'-P-C4' energy: -94.843 flat angles P-C4'-P energy: -53.664 tors. eta vs tors. theta energy: -22.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -545.947928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.947928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.947928 (E_RNA) where: Base-Base interactions energy: -236.054 where: short stacking energy: -169.207 Base-Backbone interact. energy: -0.432 local terms energy: -309.461877 where: bonds (distance) C4'-P energy: -90.107 bonds (distance) P-C4' energy: -97.125 flat angles C4'-P-C4' energy: -77.302 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: 0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -568.363289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.363289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.363289 (E_RNA) where: Base-Base interactions energy: -262.022 where: short stacking energy: -167.285 Base-Backbone interact. energy: -1.597 local terms energy: -304.743408 where: bonds (distance) C4'-P energy: -73.855 bonds (distance) P-C4' energy: -95.561 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -10.679 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: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -579.931095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.931095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.931095 (E_RNA) where: Base-Base interactions energy: -320.836 where: short stacking energy: -175.801 Base-Backbone interact. energy: -0.807 local terms energy: -258.287633 where: bonds (distance) C4'-P energy: -81.099 bonds (distance) P-C4' energy: -79.405 flat angles C4'-P-C4' energy: -53.575 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: 2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -979.933861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.933861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.933861 (E_RNA) where: Base-Base interactions energy: -550.191 where: short stacking energy: -329.675 Base-Backbone interact. energy: -3.205 local terms energy: -426.537352 where: bonds (distance) C4'-P energy: -98.456 bonds (distance) P-C4' energy: -94.405 flat angles C4'-P-C4' energy: -87.461 flat angles P-C4'-P energy: -58.646 tors. eta vs tors. theta energy: -87.569 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: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -971.648015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.648015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.648015 (E_RNA) where: Base-Base interactions energy: -587.841 where: short stacking energy: -306.688 Base-Backbone interact. energy: -0.293 local terms energy: -383.513817 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -82.042 flat angles C4'-P-C4' energy: -90.105 flat angles P-C4'-P energy: -59.953 tors. eta vs tors. theta energy: -53.325 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: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -824.353664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.353664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.353664 (E_RNA) where: Base-Base interactions energy: -424.272 where: short stacking energy: -277.516 Base-Backbone interact. energy: 1.053 local terms energy: -401.134757 where: bonds (distance) C4'-P energy: -91.123 bonds (distance) P-C4' energy: -96.900 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -62.543 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: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -652.590467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.590467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.590467 (E_RNA) where: Base-Base interactions energy: -310.583 where: short stacking energy: -227.789 Base-Backbone interact. energy: 0.553 local terms energy: -342.559933 where: bonds (distance) C4'-P energy: -82.265 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -79.604 flat angles P-C4'-P energy: -59.247 tors. eta vs tors. theta energy: -37.207 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -537.779804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.779804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.779804 (E_RNA) where: Base-Base interactions energy: -226.703 where: short stacking energy: -164.403 Base-Backbone interact. energy: -2.468 local terms energy: -308.609234 where: bonds (distance) C4'-P energy: -75.185 bonds (distance) P-C4' energy: -97.977 flat angles C4'-P-C4' energy: -73.274 flat angles P-C4'-P energy: -51.326 tors. eta vs tors. theta energy: -10.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -524.315064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.315064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.315064 (E_RNA) where: Base-Base interactions energy: -217.194 where: short stacking energy: -201.470 Base-Backbone interact. energy: -1.797 local terms energy: -305.324023 where: bonds (distance) C4'-P energy: -78.266 bonds (distance) P-C4' energy: -79.753 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -30.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -585.166010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.166010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.166010 (E_RNA) where: Base-Base interactions energy: -311.256 where: short stacking energy: -166.274 Base-Backbone interact. energy: -1.339 local terms energy: -272.571330 where: bonds (distance) C4'-P energy: -71.658 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -75.903 flat angles P-C4'-P energy: -39.927 tors. eta vs tors. theta energy: 4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1064.243763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.243763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.243763 (E_RNA) where: Base-Base interactions energy: -584.979 where: short stacking energy: -366.800 Base-Backbone interact. energy: 0.973 local terms energy: -480.237935 where: bonds (distance) C4'-P energy: -91.815 bonds (distance) P-C4' energy: -101.713 flat angles C4'-P-C4' energy: -103.434 flat angles P-C4'-P energy: -69.116 tors. eta vs tors. theta energy: -114.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1006.329312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.329312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.329312 (E_RNA) where: Base-Base interactions energy: -597.379 where: short stacking energy: -313.276 Base-Backbone interact. energy: -2.188 local terms energy: -406.763119 where: bonds (distance) C4'-P energy: -84.435 bonds (distance) P-C4' energy: -102.713 flat angles C4'-P-C4' energy: -99.836 flat angles P-C4'-P energy: -49.851 tors. eta vs tors. theta energy: -69.928 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -853.476959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.476959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.476959 (E_RNA) where: Base-Base interactions energy: -458.238 where: short stacking energy: -299.231 Base-Backbone interact. energy: -2.077 local terms energy: -393.161707 where: bonds (distance) C4'-P energy: -97.356 bonds (distance) P-C4' energy: -92.593 flat angles C4'-P-C4' energy: -83.715 flat angles P-C4'-P energy: -47.791 tors. eta vs tors. theta energy: -71.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -673.434939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.434939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.434939 (E_RNA) where: Base-Base interactions energy: -353.042 where: short stacking energy: -220.905 Base-Backbone interact. energy: 1.044 local terms energy: -321.436967 where: bonds (distance) C4'-P energy: -69.621 bonds (distance) P-C4' energy: -93.889 flat angles C4'-P-C4' energy: -84.688 flat angles P-C4'-P energy: -58.233 tors. eta vs tors. theta energy: -15.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -577.765146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.765146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.765146 (E_RNA) where: Base-Base interactions energy: -255.762 where: short stacking energy: -190.836 Base-Backbone interact. energy: 3.559 local terms energy: -325.562414 where: bonds (distance) C4'-P energy: -79.522 bonds (distance) P-C4' energy: -94.273 flat angles C4'-P-C4' energy: -89.325 flat angles P-C4'-P energy: -58.216 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -516.360955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.360955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.360955 (E_RNA) where: Base-Base interactions energy: -221.602 where: short stacking energy: -144.927 Base-Backbone interact. energy: 0.402 local terms energy: -295.160785 where: bonds (distance) C4'-P energy: -74.893 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -81.722 flat angles P-C4'-P energy: -45.125 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -474.099468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.099468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.099468 (E_RNA) where: Base-Base interactions energy: -203.006 where: short stacking energy: -168.710 Base-Backbone interact. energy: 2.022 local terms energy: -273.115660 where: bonds (distance) C4'-P energy: -86.354 bonds (distance) P-C4' energy: -71.412 flat angles C4'-P-C4' energy: -66.776 flat angles P-C4'-P energy: -36.086 tors. eta vs tors. theta energy: -12.488 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: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -507.227691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.227691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.227691 (E_RNA) where: Base-Base interactions energy: -225.262 where: short stacking energy: -162.105 Base-Backbone interact. energy: 5.266 local terms energy: -287.231451 where: bonds (distance) C4'-P energy: -86.034 bonds (distance) P-C4' energy: -71.279 flat angles C4'-P-C4' energy: -65.259 flat angles P-C4'-P energy: -59.056 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -419.228891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.228891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.228891 (E_RNA) where: Base-Base interactions energy: -164.046 where: short stacking energy: -118.098 Base-Backbone interact. energy: -2.953 local terms energy: -252.230014 where: bonds (distance) C4'-P energy: -86.854 bonds (distance) P-C4' energy: -71.050 flat angles C4'-P-C4' energy: -66.238 flat angles P-C4'-P energy: -34.570 tors. eta vs tors. theta energy: 6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1077.274253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.274253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.274253 (E_RNA) where: Base-Base interactions energy: -619.330 where: short stacking energy: -372.784 Base-Backbone interact. energy: -2.587 local terms energy: -455.357699 where: bonds (distance) C4'-P energy: -97.179 bonds (distance) P-C4' energy: -97.318 flat angles C4'-P-C4' energy: -103.498 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -87.359 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: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1071.492928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.492928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.492928 (E_RNA) where: Base-Base interactions energy: -654.155 where: short stacking energy: -319.943 Base-Backbone interact. energy: -3.230 local terms energy: -414.108286 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -99.867 flat angles C4'-P-C4' energy: -96.502 flat angles P-C4'-P energy: -59.093 tors. eta vs tors. theta energy: -74.578 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: 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: -854.320115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.320115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.320115 (E_RNA) where: Base-Base interactions energy: -458.409 where: short stacking energy: -301.213 Base-Backbone interact. energy: -0.391 local terms energy: -395.520757 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -91.081 flat angles P-C4'-P energy: -62.904 tors. eta vs tors. theta energy: -61.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -671.763763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.763763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.763763 (E_RNA) where: Base-Base interactions energy: -334.167 where: short stacking energy: -237.913 Base-Backbone interact. energy: 0.254 local terms energy: -337.850624 where: bonds (distance) C4'-P energy: -87.671 bonds (distance) P-C4' energy: -87.345 flat angles C4'-P-C4' energy: -90.233 flat angles P-C4'-P energy: -46.084 tors. eta vs tors. theta energy: -26.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -601.872047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.872047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.872047 (E_RNA) where: Base-Base interactions energy: -256.259 where: short stacking energy: -196.191 Base-Backbone interact. energy: -1.830 local terms energy: -343.782685 where: bonds (distance) C4'-P energy: -98.634 bonds (distance) P-C4' energy: -81.460 flat angles C4'-P-C4' energy: -88.153 flat angles P-C4'-P energy: -52.752 tors. eta vs tors. theta energy: -22.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -519.458225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.458225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.458225 (E_RNA) where: Base-Base interactions energy: -234.379 where: short stacking energy: -161.682 Base-Backbone interact. energy: 1.294 local terms energy: -286.372467 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -96.610 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -24.057 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -427.197931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.197931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.197931 (E_RNA) where: Base-Base interactions energy: -151.541 where: short stacking energy: -132.372 Base-Backbone interact. energy: 0.412 local terms energy: -276.069348 where: bonds (distance) C4'-P energy: -86.114 bonds (distance) P-C4' energy: -62.368 flat angles C4'-P-C4' energy: -74.716 flat angles P-C4'-P energy: -58.433 tors. eta vs tors. theta energy: 5.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -466.956007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.956007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.956007 (E_RNA) where: Base-Base interactions energy: -190.802 where: short stacking energy: -127.121 Base-Backbone interact. energy: 0.404 local terms energy: -276.557952 where: bonds (distance) C4'-P energy: -80.404 bonds (distance) P-C4' energy: -77.433 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -58.189 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -463.219934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.219934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.219934 (E_RNA) where: Base-Base interactions energy: -191.374 where: short stacking energy: -129.455 Base-Backbone interact. energy: -1.828 local terms energy: -270.017337 where: bonds (distance) C4'-P energy: -85.637 bonds (distance) P-C4' energy: -83.866 flat angles C4'-P-C4' energy: -66.890 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: 0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1158.601852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.601852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.601852 (E_RNA) where: Base-Base interactions energy: -697.028 where: short stacking energy: -370.535 Base-Backbone interact. energy: -0.345 local terms energy: -461.228611 where: bonds (distance) C4'-P energy: -89.883 bonds (distance) P-C4' energy: -100.565 flat angles C4'-P-C4' energy: -109.565 flat angles P-C4'-P energy: -65.693 tors. eta vs tors. theta energy: -95.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1036.677508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.677508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.677508 (E_RNA) where: Base-Base interactions energy: -576.420 where: short stacking energy: -361.684 Base-Backbone interact. energy: -1.754 local terms energy: -458.503770 where: bonds (distance) C4'-P energy: -96.188 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -65.451 tors. eta vs tors. theta energy: -100.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -901.408816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.408816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.408816 (E_RNA) where: Base-Base interactions energy: -465.129 where: short stacking energy: -288.439 Base-Backbone interact. energy: -0.690 local terms energy: -435.589937 where: bonds (distance) C4'-P energy: -97.514 bonds (distance) P-C4' energy: -92.798 flat angles C4'-P-C4' energy: -106.647 flat angles P-C4'-P energy: -70.611 tors. eta vs tors. theta energy: -68.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -877.599793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.599793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.599793 (E_RNA) where: Base-Base interactions energy: -483.841 where: short stacking energy: -299.372 Base-Backbone interact. energy: -1.571 local terms energy: -392.188047 where: bonds (distance) C4'-P energy: -99.755 bonds (distance) P-C4' energy: -88.302 flat angles C4'-P-C4' energy: -81.880 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -63.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -763.222859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.222859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.222859 (E_RNA) where: Base-Base interactions energy: -387.944 where: short stacking energy: -257.682 Base-Backbone interact. energy: -1.187 local terms energy: -374.091382 where: bonds (distance) C4'-P energy: -87.275 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -82.131 flat angles P-C4'-P energy: -66.289 tors. eta vs tors. theta energy: -54.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -626.377961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.377961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.377961 (E_RNA) where: Base-Base interactions energy: -293.754 where: short stacking energy: -209.144 Base-Backbone interact. energy: 0.197 local terms energy: -332.821728 where: bonds (distance) C4'-P energy: -89.912 bonds (distance) P-C4' energy: -87.771 flat angles C4'-P-C4' energy: -87.517 flat angles P-C4'-P energy: -44.624 tors. eta vs tors. theta energy: -22.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -506.834532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.834532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.834532 (E_RNA) where: Base-Base interactions energy: -217.458 where: short stacking energy: -143.704 Base-Backbone interact. energy: -1.572 local terms energy: -287.804551 where: bonds (distance) C4'-P energy: -77.863 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -55.610 flat angles P-C4'-P energy: -59.208 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -591.171173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.171173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.171173 (E_RNA) where: Base-Base interactions energy: -284.171 where: short stacking energy: -165.808 Base-Backbone interact. energy: -1.402 local terms energy: -305.597877 where: bonds (distance) C4'-P energy: -76.877 bonds (distance) P-C4' energy: -85.784 flat angles C4'-P-C4' energy: -74.657 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -17.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -463.376152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.376152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.376152 (E_RNA) where: Base-Base interactions energy: -187.891 where: short stacking energy: -129.152 Base-Backbone interact. energy: -1.241 local terms energy: -274.244241 where: bonds (distance) C4'-P energy: -85.940 bonds (distance) P-C4' energy: -83.815 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -40.339 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -414.396281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.396281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.396281 (E_RNA) where: Base-Base interactions energy: -175.855 where: short stacking energy: -141.553 Base-Backbone interact. energy: 1.370 local terms energy: -239.911867 where: bonds (distance) C4'-P energy: -79.990 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -62.213 flat angles P-C4'-P energy: -29.982 tors. eta vs tors. theta energy: 8.725 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: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1164.439345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.439345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.439345 (E_RNA) where: Base-Base interactions energy: -727.798 where: short stacking energy: -369.085 Base-Backbone interact. energy: -0.551 local terms energy: -436.089734 where: bonds (distance) C4'-P energy: -95.468 bonds (distance) P-C4' energy: -94.231 flat angles C4'-P-C4' energy: -97.705 flat angles P-C4'-P energy: -53.181 tors. eta vs tors. theta energy: -95.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1017.952958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.952958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.952958 (E_RNA) where: Base-Base interactions energy: -583.564 where: short stacking energy: -340.908 Base-Backbone interact. energy: -1.639 local terms energy: -432.749406 where: bonds (distance) C4'-P energy: -93.317 bonds (distance) P-C4' energy: -91.278 flat angles C4'-P-C4' energy: -97.396 flat angles P-C4'-P energy: -67.044 tors. eta vs tors. theta energy: -83.715 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -946.431157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.431157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.431157 (E_RNA) where: Base-Base interactions energy: -551.785 where: short stacking energy: -285.219 Base-Backbone interact. energy: -2.185 local terms energy: -392.461472 where: bonds (distance) C4'-P energy: -92.373 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -88.188 flat angles P-C4'-P energy: -50.550 tors. eta vs tors. theta energy: -74.308 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: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -919.125488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.125488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.125488 (E_RNA) where: Base-Base interactions energy: -541.880 where: short stacking energy: -271.782 Base-Backbone interact. energy: -1.658 local terms energy: -375.587957 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -74.843 flat angles C4'-P-C4' energy: -97.460 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -55.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -718.345377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.345377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.345377 (E_RNA) where: Base-Base interactions energy: -359.658 where: short stacking energy: -213.938 Base-Backbone interact. energy: 1.774 local terms energy: -360.461274 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -98.298 flat angles C4'-P-C4' energy: -85.828 flat angles P-C4'-P energy: -60.559 tors. eta vs tors. theta energy: -37.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -739.305538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.305538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.305538 (E_RNA) where: Base-Base interactions energy: -408.168 where: short stacking energy: -195.513 Base-Backbone interact. energy: -1.596 local terms energy: -329.541819 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -87.508 flat angles C4'-P-C4' energy: -77.744 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -31.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -572.723120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.723120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.723120 (E_RNA) where: Base-Base interactions energy: -291.270 where: short stacking energy: -179.380 Base-Backbone interact. energy: -0.483 local terms energy: -280.970235 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -100.315 flat angles C4'-P-C4' energy: -75.447 flat angles P-C4'-P energy: -32.597 tors. eta vs tors. theta energy: -0.065 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: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -551.399451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.399451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.399451 (E_RNA) where: Base-Base interactions energy: -246.439 where: short stacking energy: -144.965 Base-Backbone interact. energy: 5.955 local terms energy: -310.915637 where: bonds (distance) C4'-P energy: -83.184 bonds (distance) P-C4' energy: -90.943 flat angles C4'-P-C4' energy: -76.584 flat angles P-C4'-P energy: -54.929 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -478.097051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.097051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.097051 (E_RNA) where: Base-Base interactions energy: -199.289 where: short stacking energy: -147.586 Base-Backbone interact. energy: -0.666 local terms energy: -278.141734 where: bonds (distance) C4'-P energy: -76.769 bonds (distance) P-C4' energy: -76.985 flat angles C4'-P-C4' energy: -77.626 flat angles P-C4'-P energy: -39.150 tors. eta vs tors. theta energy: -7.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -387.972031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.972031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.972031 (E_RNA) where: Base-Base interactions energy: -129.220 where: short stacking energy: -104.134 Base-Backbone interact. energy: 1.312 local terms energy: -260.063795 where: bonds (distance) C4'-P energy: -92.038 bonds (distance) P-C4' energy: -88.337 flat angles C4'-P-C4' energy: -70.494 flat angles P-C4'-P energy: -23.852 tors. eta vs tors. theta energy: 14.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1189.202725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.202725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.202725 (E_RNA) where: Base-Base interactions energy: -731.464 where: short stacking energy: -368.208 Base-Backbone interact. energy: -2.021 local terms energy: -455.717746 where: bonds (distance) C4'-P energy: -88.749 bonds (distance) P-C4' energy: -102.197 flat angles C4'-P-C4' energy: -104.944 flat angles P-C4'-P energy: -62.609 tors. eta vs tors. theta energy: -97.219 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: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1071.048712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.048712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.048712 (E_RNA) where: Base-Base interactions energy: -627.874 where: short stacking energy: -347.767 Base-Backbone interact. energy: -4.174 local terms energy: -439.000410 where: bonds (distance) C4'-P energy: -98.223 bonds (distance) P-C4' energy: -84.220 flat angles C4'-P-C4' energy: -103.433 flat angles P-C4'-P energy: -55.889 tors. eta vs tors. theta energy: -97.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1042.868236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.868236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.868236 (E_RNA) where: Base-Base interactions energy: -582.432 where: short stacking energy: -349.665 Base-Backbone interact. energy: -0.914 local terms energy: -459.522795 where: bonds (distance) C4'-P energy: -89.848 bonds (distance) P-C4' energy: -105.126 flat angles C4'-P-C4' energy: -98.752 flat angles P-C4'-P energy: -69.621 tors. eta vs tors. theta energy: -96.176 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: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -876.009703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.009703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.009703 (E_RNA) where: Base-Base interactions energy: -495.328 where: short stacking energy: -281.137 Base-Backbone interact. energy: -2.193 local terms energy: -378.488178 where: bonds (distance) C4'-P energy: -83.949 bonds (distance) P-C4' energy: -81.731 flat angles C4'-P-C4' energy: -98.840 flat angles P-C4'-P energy: -54.946 tors. eta vs tors. theta energy: -59.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -835.644212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.644212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.644212 (E_RNA) where: Base-Base interactions energy: -476.875 where: short stacking energy: -259.213 Base-Backbone interact. energy: -2.139 local terms energy: -356.630300 where: bonds (distance) C4'-P energy: -80.071 bonds (distance) P-C4' energy: -86.478 flat angles C4'-P-C4' energy: -80.047 flat angles P-C4'-P energy: -56.155 tors. eta vs tors. theta energy: -53.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -649.708159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.708159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.708159 (E_RNA) where: Base-Base interactions energy: -311.331 where: short stacking energy: -194.222 Base-Backbone interact. energy: -1.409 local terms energy: -336.967821 where: bonds (distance) C4'-P energy: -90.746 bonds (distance) P-C4' energy: -86.912 flat angles C4'-P-C4' energy: -80.965 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -27.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -587.664493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.664493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.664493 (E_RNA) where: Base-Base interactions energy: -281.426 where: short stacking energy: -187.968 Base-Backbone interact. energy: 10.766 local terms energy: -317.004834 where: bonds (distance) C4'-P energy: -88.164 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -43.296 tors. eta vs tors. theta energy: -20.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -586.771224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.771224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.771224 (E_RNA) where: Base-Base interactions energy: -293.581 where: short stacking energy: -162.292 Base-Backbone interact. energy: -0.896 local terms energy: -292.294925 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -86.485 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -452.443486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.443486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.443486 (E_RNA) where: Base-Base interactions energy: -197.373 where: short stacking energy: -130.072 Base-Backbone interact. energy: 7.874 local terms energy: -262.944912 where: bonds (distance) C4'-P energy: -71.606 bonds (distance) P-C4' energy: -80.225 flat angles C4'-P-C4' energy: -62.240 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -388.990651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.990651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.990651 (E_RNA) where: Base-Base interactions energy: -105.193 where: short stacking energy: -98.424 Base-Backbone interact. energy: -2.066 local terms energy: -281.731877 where: bonds (distance) C4'-P energy: -81.786 bonds (distance) P-C4' energy: -70.795 flat angles C4'-P-C4' energy: -76.088 flat angles P-C4'-P energy: -55.710 tors. eta vs tors. theta energy: 2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1169.845119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.845119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.845119 (E_RNA) where: Base-Base interactions energy: -698.639 where: short stacking energy: -382.016 Base-Backbone interact. energy: -3.062 local terms energy: -468.144716 where: bonds (distance) C4'-P energy: -100.406 bonds (distance) P-C4' energy: -91.218 flat angles C4'-P-C4' energy: -103.157 flat angles P-C4'-P energy: -74.869 tors. eta vs tors. theta energy: -98.494 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1060.375917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.375917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.375917 (E_RNA) where: Base-Base interactions energy: -618.095 where: short stacking energy: -341.780 Base-Backbone interact. energy: -1.163 local terms energy: -441.118463 where: bonds (distance) C4'-P energy: -92.881 bonds (distance) P-C4' energy: -98.014 flat angles C4'-P-C4' energy: -98.151 flat angles P-C4'-P energy: -61.025 tors. eta vs tors. theta energy: -91.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1058.660798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.660798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.660798 (E_RNA) where: Base-Base interactions energy: -630.234 where: short stacking energy: -348.731 Base-Backbone interact. energy: -1.739 local terms energy: -426.688340 where: bonds (distance) C4'-P energy: -82.795 bonds (distance) P-C4' energy: -93.929 flat angles C4'-P-C4' energy: -97.245 flat angles P-C4'-P energy: -57.045 tors. eta vs tors. theta energy: -95.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -922.994178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.994178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.994178 (E_RNA) where: Base-Base interactions energy: -538.511 where: short stacking energy: -285.729 Base-Backbone interact. energy: -0.837 local terms energy: -383.646168 where: bonds (distance) C4'-P energy: -92.662 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -92.557 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: -66.791 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: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -853.963429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.963429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.963429 (E_RNA) where: Base-Base interactions energy: -500.500 where: short stacking energy: -282.568 Base-Backbone interact. energy: 0.424 local terms energy: -353.886978 where: bonds (distance) C4'-P energy: -87.283 bonds (distance) P-C4' energy: -79.720 flat angles C4'-P-C4' energy: -81.544 flat angles P-C4'-P energy: -54.995 tors. eta vs tors. theta energy: -50.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -672.738641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.738641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.738641 (E_RNA) where: Base-Base interactions energy: -336.324 where: short stacking energy: -205.269 Base-Backbone interact. energy: 0.496 local terms energy: -336.910870 where: bonds (distance) C4'-P energy: -90.582 bonds (distance) P-C4' energy: -97.007 flat angles C4'-P-C4' energy: -73.567 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -29.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -616.730887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.730887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.730887 (E_RNA) where: Base-Base interactions energy: -309.803 where: short stacking energy: -189.244 Base-Backbone interact. energy: 1.359 local terms energy: -308.287157 where: bonds (distance) C4'-P energy: -71.491 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -94.486 flat angles P-C4'-P energy: -34.914 tors. eta vs tors. theta energy: -18.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -533.426730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.426730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.426730 (E_RNA) where: Base-Base interactions energy: -266.468 where: short stacking energy: -160.057 Base-Backbone interact. energy: 1.033 local terms energy: -267.991678 where: bonds (distance) C4'-P energy: -71.869 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -71.674 flat angles P-C4'-P energy: -43.634 tors. eta vs tors. theta energy: 7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -515.999278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.999278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.999278 (E_RNA) where: Base-Base interactions energy: -234.634 where: short stacking energy: -137.388 Base-Backbone interact. energy: -0.799 local terms energy: -280.566216 where: bonds (distance) C4'-P energy: -67.675 bonds (distance) P-C4' energy: -98.511 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -48.267 tors. eta vs tors. theta energy: -5.176 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: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -371.563816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.563816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.563816 (E_RNA) where: Base-Base interactions energy: -124.579 where: short stacking energy: -113.054 Base-Backbone interact. energy: -1.522 local terms energy: -245.463133 where: bonds (distance) C4'-P energy: -73.742 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -74.036 flat angles P-C4'-P energy: -45.228 tors. eta vs tors. theta energy: 28.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1182.040354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.040354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.040354 (E_RNA) where: Base-Base interactions energy: -737.446 where: short stacking energy: -370.891 Base-Backbone interact. energy: -1.600 local terms energy: -442.994436 where: bonds (distance) C4'-P energy: -97.632 bonds (distance) P-C4' energy: -95.486 flat angles C4'-P-C4' energy: -88.593 flat angles P-C4'-P energy: -70.165 tors. eta vs tors. theta energy: -91.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1070.754817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.754817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.754817 (E_RNA) where: Base-Base interactions energy: -642.606 where: short stacking energy: -347.825 Base-Backbone interact. energy: 0.727 local terms energy: -428.875244 where: bonds (distance) C4'-P energy: -96.098 bonds (distance) P-C4' energy: -97.725 flat angles C4'-P-C4' energy: -91.076 flat angles P-C4'-P energy: -57.386 tors. eta vs tors. theta energy: -86.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1053.861384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.861384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.861384 (E_RNA) where: Base-Base interactions energy: -615.302 where: short stacking energy: -325.124 Base-Backbone interact. energy: -0.987 local terms energy: -437.572015 where: bonds (distance) C4'-P energy: -81.069 bonds (distance) P-C4' energy: -97.268 flat angles C4'-P-C4' energy: -96.177 flat angles P-C4'-P energy: -75.521 tors. eta vs tors. theta energy: -87.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1000.024766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.024766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.024766 (E_RNA) where: Base-Base interactions energy: -587.652 where: short stacking energy: -323.262 Base-Backbone interact. energy: 2.180 local terms energy: -414.553578 where: bonds (distance) C4'-P energy: -83.688 bonds (distance) P-C4' energy: -88.287 flat angles C4'-P-C4' energy: -88.799 flat angles P-C4'-P energy: -66.177 tors. eta vs tors. theta energy: -87.603 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: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -887.822004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.822004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.822004 (E_RNA) where: Base-Base interactions energy: -486.609 where: short stacking energy: -292.365 Base-Backbone interact. energy: -1.277 local terms energy: -399.935098 where: bonds (distance) C4'-P energy: -88.754 bonds (distance) P-C4' energy: -99.359 flat angles C4'-P-C4' energy: -91.048 flat angles P-C4'-P energy: -49.719 tors. eta vs tors. theta energy: -71.056 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: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -715.373929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.373929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.373929 (E_RNA) where: Base-Base interactions energy: -390.030 where: short stacking energy: -238.170 Base-Backbone interact. energy: 0.347 local terms energy: -325.690657 where: bonds (distance) C4'-P energy: -76.064 bonds (distance) P-C4' energy: -89.658 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -31.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -633.012775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.012775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.012775 (E_RNA) where: Base-Base interactions energy: -332.261 where: short stacking energy: -195.603 Base-Backbone interact. energy: -1.008 local terms energy: -299.743492 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -84.687 flat angles C4'-P-C4' energy: -65.569 flat angles P-C4'-P energy: -26.647 tors. eta vs tors. theta energy: -25.012 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: 16 Temperature: 1.250000 Total energy: -558.390034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.390034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.390034 (E_RNA) where: Base-Base interactions energy: -262.974 where: short stacking energy: -172.072 Base-Backbone interact. energy: -0.944 local terms energy: -294.471625 where: bonds (distance) C4'-P energy: -83.005 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -75.746 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -504.567451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.567451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.567451 (E_RNA) where: Base-Base interactions energy: -225.359 where: short stacking energy: -149.857 Base-Backbone interact. energy: 8.781 local terms energy: -287.988953 where: bonds (distance) C4'-P energy: -67.423 bonds (distance) P-C4' energy: -76.356 flat angles C4'-P-C4' energy: -84.762 flat angles P-C4'-P energy: -50.826 tors. eta vs tors. theta energy: -8.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -387.272367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.272367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.272367 (E_RNA) where: Base-Base interactions energy: -155.606 where: short stacking energy: -116.341 Base-Backbone interact. energy: 0.465 local terms energy: -232.131303 where: bonds (distance) C4'-P energy: -71.723 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -47.846 flat angles P-C4'-P energy: -34.712 tors. eta vs tors. theta energy: 20.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1191.470265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.470265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.470265 (E_RNA) where: Base-Base interactions energy: -735.893 where: short stacking energy: -386.377 Base-Backbone interact. energy: -0.906 local terms energy: -454.671303 where: bonds (distance) C4'-P energy: -87.417 bonds (distance) P-C4' energy: -98.217 flat angles C4'-P-C4' energy: -105.986 flat angles P-C4'-P energy: -73.818 tors. eta vs tors. theta energy: -89.234 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: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1137.203120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.203120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.203120 (E_RNA) where: Base-Base interactions energy: -700.673 where: short stacking energy: -359.856 Base-Backbone interact. energy: -1.367 local terms energy: -435.163332 where: bonds (distance) C4'-P energy: -86.401 bonds (distance) P-C4' energy: -84.546 flat angles C4'-P-C4' energy: -108.480 flat angles P-C4'-P energy: -59.126 tors. eta vs tors. theta energy: -96.611 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1079.237136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.237136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.237136 (E_RNA) where: Base-Base interactions energy: -652.876 where: short stacking energy: -325.365 Base-Backbone interact. energy: -0.929 local terms energy: -425.432417 where: bonds (distance) C4'-P energy: -91.049 bonds (distance) P-C4' energy: -98.401 flat angles C4'-P-C4' energy: -89.315 flat angles P-C4'-P energy: -66.067 tors. eta vs tors. theta energy: -80.599 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: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -961.371025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.371025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.371025 (E_RNA) where: Base-Base interactions energy: -592.190 where: short stacking energy: -308.861 Base-Backbone interact. energy: -2.161 local terms energy: -367.020353 where: bonds (distance) C4'-P energy: -80.887 bonds (distance) P-C4' energy: -89.941 flat angles C4'-P-C4' energy: -90.454 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -60.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -888.697279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.697279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.697279 (E_RNA) where: Base-Base interactions energy: -510.790 where: short stacking energy: -284.765 Base-Backbone interact. energy: 6.093 local terms energy: -384.000285 where: bonds (distance) C4'-P energy: -67.656 bonds (distance) P-C4' energy: -103.495 flat angles C4'-P-C4' energy: -85.840 flat angles P-C4'-P energy: -53.272 tors. eta vs tors. theta energy: -73.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -700.115622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.115622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.115622 (E_RNA) where: Base-Base interactions energy: -380.455 where: short stacking energy: -211.500 Base-Backbone interact. energy: -0.926 local terms energy: -318.734261 where: bonds (distance) C4'-P energy: -80.635 bonds (distance) P-C4' energy: -93.982 flat angles C4'-P-C4' energy: -75.889 flat angles P-C4'-P energy: -46.669 tors. eta vs tors. theta energy: -21.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -604.580813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.580813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.580813 (E_RNA) where: Base-Base interactions energy: -303.587 where: short stacking energy: -187.278 Base-Backbone interact. energy: 1.884 local terms energy: -302.877904 where: bonds (distance) C4'-P energy: -72.475 bonds (distance) P-C4' energy: -84.936 flat angles C4'-P-C4' energy: -85.346 flat angles P-C4'-P energy: -48.964 tors. eta vs tors. theta energy: -11.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -559.214287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.214287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.214287 (E_RNA) where: Base-Base interactions energy: -268.800 where: short stacking energy: -175.306 Base-Backbone interact. energy: -0.587 local terms energy: -289.827620 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -87.449 flat angles C4'-P-C4' energy: -72.015 flat angles P-C4'-P energy: -34.325 tors. eta vs tors. theta energy: -29.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -544.228723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.228723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.228723 (E_RNA) where: Base-Base interactions energy: -254.624 where: short stacking energy: -165.656 Base-Backbone interact. energy: 2.030 local terms energy: -291.634162 where: bonds (distance) C4'-P energy: -79.308 bonds (distance) P-C4' energy: -78.013 flat angles C4'-P-C4' energy: -69.437 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -380.503615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.503615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.503615 (E_RNA) where: Base-Base interactions energy: -129.346 where: short stacking energy: -111.477 Base-Backbone interact. energy: 2.794 local terms energy: -253.951697 where: bonds (distance) C4'-P energy: -84.846 bonds (distance) P-C4' energy: -78.763 flat angles C4'-P-C4' energy: -81.656 flat angles P-C4'-P energy: -34.873 tors. eta vs tors. theta energy: 26.187 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: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1169.105868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.105868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.105868 (E_RNA) where: Base-Base interactions energy: -717.793 where: short stacking energy: -366.332 Base-Backbone interact. energy: -0.956 local terms energy: -450.356915 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -99.688 flat angles C4'-P-C4' energy: -100.171 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -88.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1128.722946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.722946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.722946 (E_RNA) where: Base-Base interactions energy: -674.863 where: short stacking energy: -373.364 Base-Backbone interact. energy: -2.223 local terms energy: -451.636583 where: bonds (distance) C4'-P energy: -90.203 bonds (distance) P-C4' energy: -93.690 flat angles C4'-P-C4' energy: -95.264 flat angles P-C4'-P energy: -68.454 tors. eta vs tors. theta energy: -104.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1103.186626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.186626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.186626 (E_RNA) where: Base-Base interactions energy: -669.281 where: short stacking energy: -369.298 Base-Backbone interact. energy: -0.134 local terms energy: -433.771668 where: bonds (distance) C4'-P energy: -88.230 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -105.425 flat angles P-C4'-P energy: -55.004 tors. eta vs tors. theta energy: -86.908 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -925.457780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.457780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.457780 (E_RNA) where: Base-Base interactions energy: -555.121 where: short stacking energy: -265.030 Base-Backbone interact. energy: -1.954 local terms energy: -368.383390 where: bonds (distance) C4'-P energy: -85.739 bonds (distance) P-C4' energy: -95.225 flat angles C4'-P-C4' energy: -83.892 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -55.926 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: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -940.240558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.240558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.240558 (E_RNA) where: Base-Base interactions energy: -563.147 where: short stacking energy: -282.443 Base-Backbone interact. energy: 0.520 local terms energy: -377.613846 where: bonds (distance) C4'-P energy: -80.678 bonds (distance) P-C4' energy: -85.433 flat angles C4'-P-C4' energy: -88.186 flat angles P-C4'-P energy: -60.561 tors. eta vs tors. theta energy: -62.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -690.137207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.137207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.137207 (E_RNA) where: Base-Base interactions energy: -382.684 where: short stacking energy: -222.030 Base-Backbone interact. energy: 1.713 local terms energy: -309.167087 where: bonds (distance) C4'-P energy: -83.534 bonds (distance) P-C4' energy: -83.400 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -17.741 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: 18 Temperature: 1.200000 Total energy: -598.436413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.436413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.436413 (E_RNA) where: Base-Base interactions energy: -276.303 where: short stacking energy: -169.062 Base-Backbone interact. energy: 0.067 local terms energy: -322.200359 where: bonds (distance) C4'-P energy: -93.890 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -32.979 tors. eta vs tors. theta energy: -24.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -517.991330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.991330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.991330 (E_RNA) where: Base-Base interactions energy: -216.789 where: short stacking energy: -131.315 Base-Backbone interact. energy: 0.920 local terms energy: -302.123150 where: bonds (distance) C4'-P energy: -93.185 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -81.848 flat angles P-C4'-P energy: -37.089 tors. eta vs tors. theta energy: 9.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -558.657788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.657788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.657788 (E_RNA) where: Base-Base interactions energy: -287.278 where: short stacking energy: -167.327 Base-Backbone interact. energy: 6.699 local terms energy: -278.078657 where: bonds (distance) C4'-P energy: -60.611 bonds (distance) P-C4' energy: -84.284 flat angles C4'-P-C4' energy: -61.333 flat angles P-C4'-P energy: -59.361 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -419.175013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.175013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.175013 (E_RNA) where: Base-Base interactions energy: -166.750 where: short stacking energy: -129.336 Base-Backbone interact. energy: 0.364 local terms energy: -252.789114 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -68.511 flat angles C4'-P-C4' energy: -83.330 flat angles P-C4'-P energy: -38.906 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1224.312673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.312673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.312673 (E_RNA) where: Base-Base interactions energy: -758.494 where: short stacking energy: -391.439 Base-Backbone interact. energy: -2.648 local terms energy: -463.171282 where: bonds (distance) C4'-P energy: -89.011 bonds (distance) P-C4' energy: -105.687 flat angles C4'-P-C4' energy: -104.210 flat angles P-C4'-P energy: -69.496 tors. eta vs tors. theta energy: -94.767 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: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1094.598792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.598792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.598792 (E_RNA) where: Base-Base interactions energy: -645.005 where: short stacking energy: -362.901 Base-Backbone interact. energy: 0.132 local terms energy: -449.726193 where: bonds (distance) C4'-P energy: -96.441 bonds (distance) P-C4' energy: -86.176 flat angles C4'-P-C4' energy: -96.124 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -98.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1100.920535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.920535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.920535 (E_RNA) where: Base-Base interactions energy: -668.902 where: short stacking energy: -362.766 Base-Backbone interact. energy: -0.115 local terms energy: -431.903137 where: bonds (distance) C4'-P energy: -81.322 bonds (distance) P-C4' energy: -97.171 flat angles C4'-P-C4' energy: -92.023 flat angles P-C4'-P energy: -63.285 tors. eta vs tors. theta energy: -98.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -988.164821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.164821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.164821 (E_RNA) where: Base-Base interactions energy: -583.503 where: short stacking energy: -293.822 Base-Backbone interact. energy: 0.658 local terms energy: -405.319632 where: bonds (distance) C4'-P energy: -84.305 bonds (distance) P-C4' energy: -99.607 flat angles C4'-P-C4' energy: -96.818 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -64.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -881.664556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.664556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.664556 (E_RNA) where: Base-Base interactions energy: -514.097 where: short stacking energy: -261.543 Base-Backbone interact. energy: -3.078 local terms energy: -364.489646 where: bonds (distance) C4'-P energy: -93.062 bonds (distance) P-C4' energy: -74.630 flat angles C4'-P-C4' energy: -80.310 flat angles P-C4'-P energy: -59.851 tors. eta vs tors. theta energy: -56.636 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: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -698.615793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.615793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.615793 (E_RNA) where: Base-Base interactions energy: -394.528 where: short stacking energy: -213.250 Base-Backbone interact. energy: -0.360 local terms energy: -303.727791 where: bonds (distance) C4'-P energy: -82.774 bonds (distance) P-C4' energy: -81.275 flat angles C4'-P-C4' energy: -75.778 flat angles P-C4'-P energy: -49.889 tors. eta vs tors. theta energy: -14.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -601.164636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.164636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.164636 (E_RNA) where: Base-Base interactions energy: -266.830 where: short stacking energy: -169.585 Base-Backbone interact. energy: 0.208 local terms energy: -334.542189 where: bonds (distance) C4'-P energy: -88.846 bonds (distance) P-C4' energy: -99.595 flat angles C4'-P-C4' energy: -83.627 flat angles P-C4'-P energy: -44.096 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: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -599.210608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.210608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.210608 (E_RNA) where: Base-Base interactions energy: -301.219 where: short stacking energy: -173.981 Base-Backbone interact. energy: -0.158 local terms energy: -297.833245 where: bonds (distance) C4'-P energy: -77.943 bonds (distance) P-C4' energy: -85.785 flat angles C4'-P-C4' energy: -74.920 flat angles P-C4'-P energy: -44.451 tors. eta vs tors. theta energy: -14.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -564.467966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.467966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.467966 (E_RNA) where: Base-Base interactions energy: -297.262 where: short stacking energy: -154.049 Base-Backbone interact. energy: -1.368 local terms energy: -265.837427 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -82.973 flat angles C4'-P-C4' energy: -69.163 flat angles P-C4'-P energy: -36.645 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -379.123608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.123608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.123608 (E_RNA) where: Base-Base interactions energy: -131.183 where: short stacking energy: -106.922 Base-Backbone interact. energy: 0.582 local terms energy: -248.521754 where: bonds (distance) C4'-P energy: -71.449 bonds (distance) P-C4' energy: -81.603 flat angles C4'-P-C4' energy: -64.730 flat angles P-C4'-P energy: -36.907 tors. eta vs tors. theta energy: 6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1247.568724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.568724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.568724 (E_RNA) where: Base-Base interactions energy: -772.003 where: short stacking energy: -397.071 Base-Backbone interact. energy: -2.488 local terms energy: -473.078136 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -102.373 flat angles C4'-P-C4' energy: -100.353 flat angles P-C4'-P energy: -66.973 tors. eta vs tors. theta energy: -105.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1110.910886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.910886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.910886 (E_RNA) where: Base-Base interactions energy: -683.289 where: short stacking energy: -366.027 Base-Backbone interact. energy: -0.548 local terms energy: -427.074174 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -91.130 flat angles P-C4'-P energy: -63.697 tors. eta vs tors. theta energy: -92.323 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1096.294094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.294094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.294094 (E_RNA) where: Base-Base interactions energy: -677.484 where: short stacking energy: -370.831 Base-Backbone interact. energy: -0.829 local terms energy: -417.981087 where: bonds (distance) C4'-P energy: -83.995 bonds (distance) P-C4' energy: -86.348 flat angles C4'-P-C4' energy: -98.827 flat angles P-C4'-P energy: -54.910 tors. eta vs tors. theta energy: -93.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -989.002343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.002343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.002343 (E_RNA) where: Base-Base interactions energy: -570.558 where: short stacking energy: -324.161 Base-Backbone interact. energy: 0.607 local terms energy: -419.050501 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -100.600 flat angles C4'-P-C4' energy: -89.081 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -74.865 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: 1 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -899.691067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.691067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.691067 (E_RNA) where: Base-Base interactions energy: -534.729 where: short stacking energy: -278.071 Base-Backbone interact. energy: -1.056 local terms energy: -363.906013 where: bonds (distance) C4'-P energy: -86.359 bonds (distance) P-C4' energy: -79.560 flat angles C4'-P-C4' energy: -95.931 flat angles P-C4'-P energy: -47.337 tors. eta vs tors. theta energy: -54.719 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: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -697.052375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.052375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.052375 (E_RNA) where: Base-Base interactions energy: -349.925 where: short stacking energy: -195.765 Base-Backbone interact. energy: 0.298 local terms energy: -347.424809 where: bonds (distance) C4'-P energy: -100.964 bonds (distance) P-C4' energy: -90.374 flat angles C4'-P-C4' energy: -78.278 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -27.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -615.041717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.041717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.041717 (E_RNA) where: Base-Base interactions energy: -286.395 where: short stacking energy: -181.763 Base-Backbone interact. energy: -1.978 local terms energy: -326.668874 where: bonds (distance) C4'-P energy: -89.774 bonds (distance) P-C4' energy: -98.444 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -558.387554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.387554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.387554 (E_RNA) where: Base-Base interactions energy: -277.319 where: short stacking energy: -167.310 Base-Backbone interact. energy: -1.207 local terms energy: -279.861571 where: bonds (distance) C4'-P energy: -82.242 bonds (distance) P-C4' energy: -92.573 flat angles C4'-P-C4' energy: -63.492 flat angles P-C4'-P energy: -37.607 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -536.655987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.655987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.655987 (E_RNA) where: Base-Base interactions energy: -254.866 where: short stacking energy: -152.812 Base-Backbone interact. energy: -1.520 local terms energy: -280.269365 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -81.040 flat angles C4'-P-C4' energy: -81.940 flat angles P-C4'-P energy: -41.586 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -371.030388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.030388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.030388 (E_RNA) where: Base-Base interactions energy: -124.160 where: short stacking energy: -89.530 Base-Backbone interact. energy: 2.541 local terms energy: -249.411701 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -75.889 flat angles C4'-P-C4' energy: -56.853 flat angles P-C4'-P energy: -45.896 tors. eta vs tors. theta energy: 21.905 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: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1254.017412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.017412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.017412 (E_RNA) where: Base-Base interactions energy: -795.290 where: short stacking energy: -379.128 Base-Backbone interact. energy: -3.636 local terms energy: -455.090672 where: bonds (distance) C4'-P energy: -96.731 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -55.919 tors. eta vs tors. theta energy: -88.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1112.514654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.514654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.514654 (E_RNA) where: Base-Base interactions energy: -651.690 where: short stacking energy: -374.555 Base-Backbone interact. energy: -3.182 local terms energy: -457.642612 where: bonds (distance) C4'-P energy: -87.234 bonds (distance) P-C4' energy: -94.015 flat angles C4'-P-C4' energy: -109.216 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: -99.167 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: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1072.798993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.798993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.798993 (E_RNA) where: Base-Base interactions energy: -636.134 where: short stacking energy: -354.295 Base-Backbone interact. energy: -0.508 local terms energy: -436.157390 where: bonds (distance) C4'-P energy: -98.574 bonds (distance) P-C4' energy: -89.835 flat angles C4'-P-C4' energy: -85.402 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -94.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -944.638341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.638341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.638341 (E_RNA) where: Base-Base interactions energy: -537.672 where: short stacking energy: -311.727 Base-Backbone interact. energy: -1.493 local terms energy: -405.473204 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -92.626 flat angles C4'-P-C4' energy: -88.590 flat angles P-C4'-P energy: -57.839 tors. eta vs tors. theta energy: -66.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -945.275291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.275291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.275291 (E_RNA) where: Base-Base interactions energy: -570.172 where: short stacking energy: -298.235 Base-Backbone interact. energy: -2.401 local terms energy: -372.702088 where: bonds (distance) C4'-P energy: -84.538 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -85.391 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -77.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -716.739161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.739161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.739161 (E_RNA) where: Base-Base interactions energy: -398.086 where: short stacking energy: -198.269 Base-Backbone interact. energy: -0.853 local terms energy: -317.799635 where: bonds (distance) C4'-P energy: -73.892 bonds (distance) P-C4' energy: -88.892 flat angles C4'-P-C4' energy: -83.669 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -28.370 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: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -614.173861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.173861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.173861 (E_RNA) where: Base-Base interactions energy: -297.494 where: short stacking energy: -173.697 Base-Backbone interact. energy: 1.132 local terms energy: -317.811629 where: bonds (distance) C4'-P energy: -86.876 bonds (distance) P-C4' energy: -90.391 flat angles C4'-P-C4' energy: -71.977 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -539.759859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.759859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.759859 (E_RNA) where: Base-Base interactions energy: -254.387 where: short stacking energy: -152.879 Base-Backbone interact. energy: -2.367 local terms energy: -283.005395 where: bonds (distance) C4'-P energy: -84.935 bonds (distance) P-C4' energy: -83.164 flat angles C4'-P-C4' energy: -73.516 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -484.631400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.631400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.631400 (E_RNA) where: Base-Base interactions energy: -218.633 where: short stacking energy: -127.008 Base-Backbone interact. energy: -2.192 local terms energy: -263.806890 where: bonds (distance) C4'-P energy: -88.348 bonds (distance) P-C4' energy: -76.695 flat angles C4'-P-C4' energy: -49.955 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -462.113898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.113898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.113898 (E_RNA) where: Base-Base interactions energy: -185.562 where: short stacking energy: -134.817 Base-Backbone interact. energy: 1.241 local terms energy: -277.792812 where: bonds (distance) C4'-P energy: -70.619 bonds (distance) P-C4' energy: -94.113 flat angles C4'-P-C4' energy: -73.296 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -0.052 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: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1272.080362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.080362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.080362 (E_RNA) where: Base-Base interactions energy: -814.689 where: short stacking energy: -391.029 Base-Backbone interact. energy: -1.742 local terms energy: -455.648990 where: bonds (distance) C4'-P energy: -97.605 bonds (distance) P-C4' energy: -93.942 flat angles C4'-P-C4' energy: -102.186 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -103.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1136.107682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.107682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.107682 (E_RNA) where: Base-Base interactions energy: -675.781 where: short stacking energy: -349.699 Base-Backbone interact. energy: -2.610 local terms energy: -457.716725 where: bonds (distance) C4'-P energy: -95.115 bonds (distance) P-C4' energy: -103.520 flat angles C4'-P-C4' energy: -102.464 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -93.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1077.775064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.775064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.775064 (E_RNA) where: Base-Base interactions energy: -647.827 where: short stacking energy: -352.559 Base-Backbone interact. energy: -3.443 local terms energy: -426.504664 where: bonds (distance) C4'-P energy: -88.865 bonds (distance) P-C4' energy: -89.035 flat angles C4'-P-C4' energy: -99.398 flat angles P-C4'-P energy: -62.229 tors. eta vs tors. theta energy: -86.977 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: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1016.549177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.549177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.549177 (E_RNA) where: Base-Base interactions energy: -601.224 where: short stacking energy: -308.349 Base-Backbone interact. energy: 2.064 local terms energy: -417.388687 where: bonds (distance) C4'-P energy: -87.743 bonds (distance) P-C4' energy: -84.748 flat angles C4'-P-C4' energy: -106.251 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -71.724 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: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -947.199341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.199341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.199341 (E_RNA) where: Base-Base interactions energy: -566.002 where: short stacking energy: -294.575 Base-Backbone interact. energy: -2.785 local terms energy: -378.412423 where: bonds (distance) C4'-P energy: -84.675 bonds (distance) P-C4' energy: -95.309 flat angles C4'-P-C4' energy: -87.107 flat angles P-C4'-P energy: -37.891 tors. eta vs tors. theta energy: -73.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -746.512643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.512643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.512643 (E_RNA) where: Base-Base interactions energy: -391.030 where: short stacking energy: -215.530 Base-Backbone interact. energy: -0.267 local terms energy: -355.215720 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -103.302 flat angles C4'-P-C4' energy: -79.219 flat angles P-C4'-P energy: -62.538 tors. eta vs tors. theta energy: -40.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -603.182038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.182038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.182038 (E_RNA) where: Base-Base interactions energy: -270.257 where: short stacking energy: -164.369 Base-Backbone interact. energy: 3.602 local terms energy: -336.526638 where: bonds (distance) C4'-P energy: -94.408 bonds (distance) P-C4' energy: -97.170 flat angles C4'-P-C4' energy: -89.257 flat angles P-C4'-P energy: -53.831 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -586.591344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.591344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.591344 (E_RNA) where: Base-Base interactions energy: -314.784 where: short stacking energy: -175.823 Base-Backbone interact. energy: -2.458 local terms energy: -269.348987 where: bonds (distance) C4'-P energy: -75.781 bonds (distance) P-C4' energy: -80.815 flat angles C4'-P-C4' energy: -69.781 flat angles P-C4'-P energy: -32.372 tors. eta vs tors. theta energy: -10.601 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: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -489.080251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.080251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.080251 (E_RNA) where: Base-Base interactions energy: -218.372 where: short stacking energy: -139.031 Base-Backbone interact. energy: -0.849 local terms energy: -269.858696 where: bonds (distance) C4'-P energy: -72.472 bonds (distance) P-C4' energy: -74.982 flat angles C4'-P-C4' energy: -85.246 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: -8.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -487.561685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.561685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.561685 (E_RNA) where: Base-Base interactions energy: -207.767 where: short stacking energy: -125.063 Base-Backbone interact. energy: -2.338 local terms energy: -277.456991 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -78.220 flat angles C4'-P-C4' energy: -76.886 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1285.286367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.286367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.286367 (E_RNA) where: Base-Base interactions energy: -825.876 where: short stacking energy: -394.849 Base-Backbone interact. energy: -3.165 local terms energy: -456.244989 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -87.170 flat angles C4'-P-C4' energy: -98.928 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -102.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1104.769800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.769800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.769800 (E_RNA) where: Base-Base interactions energy: -656.883 where: short stacking energy: -365.117 Base-Backbone interact. energy: -2.512 local terms energy: -445.374422 where: bonds (distance) C4'-P energy: -96.730 bonds (distance) P-C4' energy: -94.253 flat angles C4'-P-C4' energy: -102.497 flat angles P-C4'-P energy: -56.564 tors. eta vs tors. theta energy: -95.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1051.477459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.477459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.477459 (E_RNA) where: Base-Base interactions energy: -598.453 where: short stacking energy: -345.197 Base-Backbone interact. energy: -2.115 local terms energy: -450.909773 where: bonds (distance) C4'-P energy: -98.885 bonds (distance) P-C4' energy: -97.758 flat angles C4'-P-C4' energy: -106.111 flat angles P-C4'-P energy: -60.201 tors. eta vs tors. theta energy: -87.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -984.426395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.426395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.426395 (E_RNA) where: Base-Base interactions energy: -593.565 where: short stacking energy: -315.111 Base-Backbone interact. energy: -0.622 local terms energy: -390.238783 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -89.021 flat angles C4'-P-C4' energy: -81.030 flat angles P-C4'-P energy: -62.750 tors. eta vs tors. theta energy: -65.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -876.711643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.711643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.711643 (E_RNA) where: Base-Base interactions energy: -524.862 where: short stacking energy: -298.417 Base-Backbone interact. energy: 2.002 local terms energy: -353.852094 where: bonds (distance) C4'-P energy: -74.246 bonds (distance) P-C4' energy: -81.405 flat angles C4'-P-C4' energy: -79.021 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -48.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -760.880774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.880774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.880774 (E_RNA) where: Base-Base interactions energy: -404.390 where: short stacking energy: -220.765 Base-Backbone interact. energy: 1.822 local terms energy: -358.312120 where: bonds (distance) C4'-P energy: -84.030 bonds (distance) P-C4' energy: -99.235 flat angles C4'-P-C4' energy: -92.360 flat angles P-C4'-P energy: -47.928 tors. eta vs tors. theta energy: -34.760 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: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -657.117444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.117444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.117444 (E_RNA) where: Base-Base interactions energy: -328.011 where: short stacking energy: -212.666 Base-Backbone interact. energy: 5.757 local terms energy: -334.863460 where: bonds (distance) C4'-P energy: -73.044 bonds (distance) P-C4' energy: -76.625 flat angles C4'-P-C4' energy: -91.731 flat angles P-C4'-P energy: -59.465 tors. eta vs tors. theta energy: -33.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -494.021040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.021040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.021040 (E_RNA) where: Base-Base interactions energy: -212.578 where: short stacking energy: -137.662 Base-Backbone interact. energy: 2.655 local terms energy: -284.097900 where: bonds (distance) C4'-P energy: -98.603 bonds (distance) P-C4' energy: -84.815 flat angles C4'-P-C4' energy: -65.781 flat angles P-C4'-P energy: -25.856 tors. eta vs tors. theta energy: -9.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -456.150151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.150151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.150151 (E_RNA) where: Base-Base interactions energy: -191.477 where: short stacking energy: -143.198 Base-Backbone interact. energy: 7.644 local terms energy: -272.317205 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -87.597 flat angles C4'-P-C4' energy: -59.204 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: 4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -443.677857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.677857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.677857 (E_RNA) where: Base-Base interactions energy: -196.008 where: short stacking energy: -120.842 Base-Backbone interact. energy: -1.208 local terms energy: -246.461659 where: bonds (distance) C4'-P energy: -77.909 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -52.997 flat angles P-C4'-P energy: -46.769 tors. eta vs tors. theta energy: 11.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1288.532241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.532241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.532241 (E_RNA) where: Base-Base interactions energy: -814.328 where: short stacking energy: -377.903 Base-Backbone interact. energy: -2.263 local terms energy: -471.941422 where: bonds (distance) C4'-P energy: -108.090 bonds (distance) P-C4' energy: -91.096 flat angles C4'-P-C4' energy: -104.725 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: -101.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1147.944598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.944598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.944598 (E_RNA) where: Base-Base interactions energy: -700.357 where: short stacking energy: -369.348 Base-Backbone interact. energy: -4.941 local terms energy: -442.647194 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -98.188 flat angles C4'-P-C4' energy: -91.525 flat angles P-C4'-P energy: -61.270 tors. eta vs tors. theta energy: -89.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1058.231872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.231872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.231872 (E_RNA) where: Base-Base interactions energy: -638.832 where: short stacking energy: -324.447 Base-Backbone interact. energy: 0.104 local terms energy: -419.503313 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -91.437 flat angles C4'-P-C4' energy: -87.827 flat angles P-C4'-P energy: -70.370 tors. eta vs tors. theta energy: -82.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -943.794383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.794383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.794383 (E_RNA) where: Base-Base interactions energy: -550.488 where: short stacking energy: -291.360 Base-Backbone interact. energy: -1.539 local terms energy: -391.767776 where: bonds (distance) C4'-P energy: -84.529 bonds (distance) P-C4' energy: -78.702 flat angles C4'-P-C4' energy: -97.985 flat angles P-C4'-P energy: -65.099 tors. eta vs tors. theta energy: -65.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -843.199706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.199706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.199706 (E_RNA) where: Base-Base interactions energy: -486.214 where: short stacking energy: -264.615 Base-Backbone interact. energy: -2.068 local terms energy: -354.917915 where: bonds (distance) C4'-P energy: -76.696 bonds (distance) P-C4' energy: -87.264 flat angles C4'-P-C4' energy: -91.372 flat angles P-C4'-P energy: -49.536 tors. eta vs tors. theta energy: -50.050 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: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -848.484956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.484956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.484956 (E_RNA) where: Base-Base interactions energy: -487.141 where: short stacking energy: -233.029 Base-Backbone interact. energy: -2.091 local terms energy: -359.252333 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -93.967 flat angles C4'-P-C4' energy: -87.165 flat angles P-C4'-P energy: -57.307 tors. eta vs tors. theta energy: -47.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -635.634226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.634226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.634226 (E_RNA) where: Base-Base interactions energy: -299.618 where: short stacking energy: -210.988 Base-Backbone interact. energy: -1.285 local terms energy: -334.731486 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -81.658 flat angles C4'-P-C4' energy: -84.207 flat angles P-C4'-P energy: -58.925 tors. eta vs tors. theta energy: -36.621 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: 24 Temperature: 1.250000 Total energy: -486.692244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.692244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.692244 (E_RNA) where: Base-Base interactions energy: -199.095 where: short stacking energy: -131.560 Base-Backbone interact. energy: -1.695 local terms energy: -285.901484 where: bonds (distance) C4'-P energy: -82.473 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -81.725 flat angles P-C4'-P energy: -50.429 tors. eta vs tors. theta energy: 8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -451.411887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.411887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.411887 (E_RNA) where: Base-Base interactions energy: -191.313 where: short stacking energy: -130.893 Base-Backbone interact. energy: 0.156 local terms energy: -260.254881 where: bonds (distance) C4'-P energy: -72.318 bonds (distance) P-C4' energy: -80.927 flat angles C4'-P-C4' energy: -68.469 flat angles P-C4'-P energy: -34.258 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: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -442.680354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.680354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.680354 (E_RNA) where: Base-Base interactions energy: -197.042 where: short stacking energy: -136.960 Base-Backbone interact. energy: 1.157 local terms energy: -246.795275 where: bonds (distance) C4'-P energy: -78.492 bonds (distance) P-C4' energy: -80.826 flat angles C4'-P-C4' energy: -59.291 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: 6.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1288.395734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.395734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.395734 (E_RNA) where: Base-Base interactions energy: -825.129 where: short stacking energy: -379.273 Base-Backbone interact. energy: -2.957 local terms energy: -460.309522 where: bonds (distance) C4'-P energy: -98.111 bonds (distance) P-C4' energy: -103.110 flat angles C4'-P-C4' energy: -100.821 flat angles P-C4'-P energy: -59.840 tors. eta vs tors. theta energy: -98.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1152.615711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.615711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.615711 (E_RNA) where: Base-Base interactions energy: -709.864 where: short stacking energy: -375.686 Base-Backbone interact. energy: -1.808 local terms energy: -440.943634 where: bonds (distance) C4'-P energy: -82.995 bonds (distance) P-C4' energy: -92.419 flat angles C4'-P-C4' energy: -98.206 flat angles P-C4'-P energy: -66.964 tors. eta vs tors. theta energy: -100.360 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: 8 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1125.196542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.196542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.196542 (E_RNA) where: Base-Base interactions energy: -717.055 where: short stacking energy: -362.779 Base-Backbone interact. energy: -2.638 local terms energy: -405.503015 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -84.161 flat angles C4'-P-C4' energy: -95.591 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -75.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -979.999477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.999477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.999477 (E_RNA) where: Base-Base interactions energy: -537.649 where: short stacking energy: -304.952 Base-Backbone interact. energy: -0.595 local terms energy: -441.755743 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -97.714 flat angles C4'-P-C4' energy: -93.041 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -83.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -831.264396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.264396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.264396 (E_RNA) where: Base-Base interactions energy: -479.699 where: short stacking energy: -239.927 Base-Backbone interact. energy: -1.573 local terms energy: -349.992405 where: bonds (distance) C4'-P energy: -80.408 bonds (distance) P-C4' energy: -87.581 flat angles C4'-P-C4' energy: -84.539 flat angles P-C4'-P energy: -51.518 tors. eta vs tors. theta energy: -45.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -838.646073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.646073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.646073 (E_RNA) where: Base-Base interactions energy: -480.612 where: short stacking energy: -234.818 Base-Backbone interact. energy: -1.235 local terms energy: -356.799295 where: bonds (distance) C4'-P energy: -82.719 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -81.743 flat angles P-C4'-P energy: -55.762 tors. eta vs tors. theta energy: -52.357 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: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -632.850357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.850357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.850357 (E_RNA) where: Base-Base interactions energy: -320.042 where: short stacking energy: -183.169 Base-Backbone interact. energy: 0.563 local terms energy: -313.370859 where: bonds (distance) C4'-P energy: -87.447 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -73.970 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -10.056 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: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -430.161185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.161185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.161185 (E_RNA) where: Base-Base interactions energy: -167.469 where: short stacking energy: -120.075 Base-Backbone interact. energy: 3.494 local terms energy: -266.186247 where: bonds (distance) C4'-P energy: -82.220 bonds (distance) P-C4' energy: -87.126 flat angles C4'-P-C4' energy: -68.711 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: 14.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -459.101404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.101404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.101404 (E_RNA) where: Base-Base interactions energy: -192.685 where: short stacking energy: -119.237 Base-Backbone interact. energy: -3.165 local terms energy: -263.252000 where: bonds (distance) C4'-P energy: -83.471 bonds (distance) P-C4' energy: -87.733 flat angles C4'-P-C4' energy: -57.692 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: 13.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -448.792364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.792364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.792364 (E_RNA) where: Base-Base interactions energy: -189.675 where: short stacking energy: -111.680 Base-Backbone interact. energy: 1.822 local terms energy: -260.939209 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -85.933 flat angles C4'-P-C4' energy: -65.342 flat angles P-C4'-P energy: -50.664 tors. eta vs tors. theta energy: 11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1292.332010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.332010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.332010 (E_RNA) where: Base-Base interactions energy: -830.951 where: short stacking energy: -392.188 Base-Backbone interact. energy: -2.895 local terms energy: -458.485252 where: bonds (distance) C4'-P energy: -91.682 bonds (distance) P-C4' energy: -95.692 flat angles C4'-P-C4' energy: -99.290 flat angles P-C4'-P energy: -67.365 tors. eta vs tors. theta energy: -104.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1210.325877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.325877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.325877 (E_RNA) where: Base-Base interactions energy: -744.368 where: short stacking energy: -375.428 Base-Backbone interact. energy: -0.471 local terms energy: -465.486600 where: bonds (distance) C4'-P energy: -95.092 bonds (distance) P-C4' energy: -91.714 flat angles C4'-P-C4' energy: -103.918 flat angles P-C4'-P energy: -77.406 tors. eta vs tors. theta energy: -97.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1068.809979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.809979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.809979 (E_RNA) where: Base-Base interactions energy: -651.338 where: short stacking energy: -335.436 Base-Backbone interact. energy: -0.444 local terms energy: -417.028708 where: bonds (distance) C4'-P energy: -95.180 bonds (distance) P-C4' energy: -85.832 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -59.978 tors. eta vs tors. theta energy: -85.318 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: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1042.147741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.147741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.147741 (E_RNA) where: Base-Base interactions energy: -625.749 where: short stacking energy: -346.125 Base-Backbone interact. energy: 0.637 local terms energy: -417.036035 where: bonds (distance) C4'-P energy: -85.552 bonds (distance) P-C4' energy: -91.011 flat angles C4'-P-C4' energy: -86.922 flat angles P-C4'-P energy: -70.219 tors. eta vs tors. theta energy: -83.332 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: 26 Temperature: 1.100000 Total energy: -887.775243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.775243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.775243 (E_RNA) where: Base-Base interactions energy: -508.945 where: short stacking energy: -276.940 Base-Backbone interact. energy: 3.554 local terms energy: -382.383533 where: bonds (distance) C4'-P energy: -75.937 bonds (distance) P-C4' energy: -77.520 flat angles C4'-P-C4' energy: -99.587 flat angles P-C4'-P energy: -71.621 tors. eta vs tors. theta energy: -57.720 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: 26 Temperature: 1.150000 Total energy: -723.155408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.155408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.155408 (E_RNA) where: Base-Base interactions energy: -378.054 where: short stacking energy: -214.394 Base-Backbone interact. energy: -3.379 local terms energy: -341.722483 where: bonds (distance) C4'-P energy: -79.445 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -75.112 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -41.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -699.144515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.144515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.144515 (E_RNA) where: Base-Base interactions energy: -387.438 where: short stacking energy: -192.915 Base-Backbone interact. energy: -1.755 local terms energy: -309.951440 where: bonds (distance) C4'-P energy: -80.786 bonds (distance) P-C4' energy: -92.517 flat angles C4'-P-C4' energy: -83.519 flat angles P-C4'-P energy: -34.331 tors. eta vs tors. theta energy: -18.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -494.536899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.536899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.536899 (E_RNA) where: Base-Base interactions energy: -205.977 where: short stacking energy: -151.780 Base-Backbone interact. energy: -0.583 local terms energy: -287.977196 where: bonds (distance) C4'-P energy: -87.471 bonds (distance) P-C4' energy: -88.551 flat angles C4'-P-C4' energy: -69.098 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: 3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -423.924311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.924311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.924311 (E_RNA) where: Base-Base interactions energy: -129.465 where: short stacking energy: -110.030 Base-Backbone interact. energy: -2.027 local terms energy: -292.432992 where: bonds (distance) C4'-P energy: -80.776 bonds (distance) P-C4' energy: -88.018 flat angles C4'-P-C4' energy: -67.949 flat angles P-C4'-P energy: -50.094 tors. eta vs tors. theta energy: -5.596 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: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -373.683747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.683747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.683747 (E_RNA) where: Base-Base interactions energy: -128.063 where: short stacking energy: -125.574 Base-Backbone interact. energy: 1.473 local terms energy: -247.093109 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -88.647 flat angles C4'-P-C4' energy: -68.635 flat angles P-C4'-P energy: -31.774 tors. eta vs tors. theta energy: 8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1315.005997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.005997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.005997 (E_RNA) where: Base-Base interactions energy: -856.761 where: short stacking energy: -393.819 Base-Backbone interact. energy: -1.407 local terms energy: -456.838854 where: bonds (distance) C4'-P energy: -93.387 bonds (distance) P-C4' energy: -84.817 flat angles C4'-P-C4' energy: -101.780 flat angles P-C4'-P energy: -68.299 tors. eta vs tors. theta energy: -108.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1228.614422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.614422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.614422 (E_RNA) where: Base-Base interactions energy: -776.375 where: short stacking energy: -404.009 Base-Backbone interact. energy: 0.577 local terms energy: -452.816179 where: bonds (distance) C4'-P energy: -85.497 bonds (distance) P-C4' energy: -96.412 flat angles C4'-P-C4' energy: -100.513 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -102.639 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: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1085.536749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.536749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.536749 (E_RNA) where: Base-Base interactions energy: -658.596 where: short stacking energy: -348.322 Base-Backbone interact. energy: 1.161 local terms energy: -428.101585 where: bonds (distance) C4'-P energy: -99.909 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -100.804 flat angles P-C4'-P energy: -56.090 tors. eta vs tors. theta energy: -77.284 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: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1080.686271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.686271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.686271 (E_RNA) where: Base-Base interactions energy: -652.391 where: short stacking energy: -335.934 Base-Backbone interact. energy: -2.412 local terms energy: -425.882661 where: bonds (distance) C4'-P energy: -89.284 bonds (distance) P-C4' energy: -100.585 flat angles C4'-P-C4' energy: -94.013 flat angles P-C4'-P energy: -62.639 tors. eta vs tors. theta energy: -79.362 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: 27 Temperature: 1.100000 Total energy: -861.657892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.657892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.657892 (E_RNA) where: Base-Base interactions energy: -499.747 where: short stacking energy: -245.202 Base-Backbone interact. energy: 0.849 local terms energy: -362.759621 where: bonds (distance) C4'-P energy: -90.939 bonds (distance) P-C4' energy: -96.463 flat angles C4'-P-C4' energy: -85.550 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -32.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -794.978461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.978461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.978461 (E_RNA) where: Base-Base interactions energy: -446.519 where: short stacking energy: -231.156 Base-Backbone interact. energy: 3.456 local terms energy: -351.915032 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -98.615 flat angles C4'-P-C4' energy: -91.685 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -33.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -700.951281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.951281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.951281 (E_RNA) where: Base-Base interactions energy: -375.221 where: short stacking energy: -214.085 Base-Backbone interact. energy: -0.119 local terms energy: -325.611210 where: bonds (distance) C4'-P energy: -74.969 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -82.447 flat angles P-C4'-P energy: -37.831 tors. eta vs tors. theta energy: -36.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -450.931149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.931149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.931149 (E_RNA) where: Base-Base interactions energy: -169.427 where: short stacking energy: -134.214 Base-Backbone interact. energy: -2.737 local terms energy: -278.766763 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -92.405 flat angles C4'-P-C4' energy: -74.862 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -424.751607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.751607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.751607 (E_RNA) where: Base-Base interactions energy: -151.876 where: short stacking energy: -136.533 Base-Backbone interact. energy: -0.723 local terms energy: -272.152110 where: bonds (distance) C4'-P energy: -84.188 bonds (distance) P-C4' energy: -76.322 flat angles C4'-P-C4' energy: -78.012 flat angles P-C4'-P energy: -37.023 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: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -369.372078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.372078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.372078 (E_RNA) where: Base-Base interactions energy: -117.821 where: short stacking energy: -94.322 Base-Backbone interact. energy: -1.842 local terms energy: -249.709045 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -79.598 flat angles C4'-P-C4' energy: -73.182 flat angles P-C4'-P energy: -29.095 tors. eta vs tors. theta energy: 12.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1292.282879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.282879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.282879 (E_RNA) where: Base-Base interactions energy: -839.520 where: short stacking energy: -376.334 Base-Backbone interact. energy: -1.113 local terms energy: -451.650628 where: bonds (distance) C4'-P energy: -94.061 bonds (distance) P-C4' energy: -84.724 flat angles C4'-P-C4' energy: -105.886 flat angles P-C4'-P energy: -66.524 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: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1230.015033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.015033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.015033 (E_RNA) where: Base-Base interactions energy: -796.835 where: short stacking energy: -396.122 Base-Backbone interact. energy: -0.536 local terms energy: -432.644778 where: bonds (distance) C4'-P energy: -77.172 bonds (distance) P-C4' energy: -86.007 flat angles C4'-P-C4' energy: -100.124 flat angles P-C4'-P energy: -63.602 tors. eta vs tors. theta energy: -105.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1116.014178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.014178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.014178 (E_RNA) where: Base-Base interactions energy: -657.869 where: short stacking energy: -354.657 Base-Backbone interact. energy: 0.412 local terms energy: -458.557239 where: bonds (distance) C4'-P energy: -102.588 bonds (distance) P-C4' energy: -82.662 flat angles C4'-P-C4' energy: -103.589 flat angles P-C4'-P energy: -77.310 tors. eta vs tors. theta energy: -92.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1023.519505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.519505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.519505 (E_RNA) where: Base-Base interactions energy: -615.316 where: short stacking energy: -313.357 Base-Backbone interact. energy: 1.022 local terms energy: -409.226037 where: bonds (distance) C4'-P energy: -81.857 bonds (distance) P-C4' energy: -96.878 flat angles C4'-P-C4' energy: -95.079 flat angles P-C4'-P energy: -56.039 tors. eta vs tors. theta energy: -79.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -878.713390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.713390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.713390 (E_RNA) where: Base-Base interactions energy: -497.234 where: short stacking energy: -244.481 Base-Backbone interact. energy: -2.260 local terms energy: -379.219621 where: bonds (distance) C4'-P energy: -94.357 bonds (distance) P-C4' energy: -87.881 flat angles C4'-P-C4' energy: -97.329 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -38.906 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: 9 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -793.212986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.212986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.212986 (E_RNA) where: Base-Base interactions energy: -438.286 where: short stacking energy: -234.615 Base-Backbone interact. energy: 2.073 local terms energy: -356.999924 where: bonds (distance) C4'-P energy: -69.157 bonds (distance) P-C4' energy: -96.759 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -54.682 tors. eta vs tors. theta energy: -40.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -763.692053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.692053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.692053 (E_RNA) where: Base-Base interactions energy: -418.184 where: short stacking energy: -236.945 Base-Backbone interact. energy: 0.593 local terms energy: -346.100792 where: bonds (distance) C4'-P energy: -82.360 bonds (distance) P-C4' energy: -87.247 flat angles C4'-P-C4' energy: -82.144 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -40.246 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: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -516.951232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.951232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.951232 (E_RNA) where: Base-Base interactions energy: -229.446 where: short stacking energy: -132.729 Base-Backbone interact. energy: 1.458 local terms energy: -288.962969 where: bonds (distance) C4'-P energy: -87.960 bonds (distance) P-C4' energy: -82.301 flat angles C4'-P-C4' energy: -59.876 flat angles P-C4'-P energy: -58.971 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -409.948392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.948392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.948392 (E_RNA) where: Base-Base interactions energy: -129.992 where: short stacking energy: -108.942 Base-Backbone interact. energy: -3.280 local terms energy: -276.675892 where: bonds (distance) C4'-P energy: -87.835 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -73.294 flat angles P-C4'-P energy: -38.954 tors. eta vs tors. theta energy: 6.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -383.727089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.727089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.727089 (E_RNA) where: Base-Base interactions energy: -142.967 where: short stacking energy: -127.263 Base-Backbone interact. energy: 0.589 local terms energy: -241.349562 where: bonds (distance) C4'-P energy: -68.673 bonds (distance) P-C4' energy: -68.529 flat angles C4'-P-C4' energy: -73.650 flat angles P-C4'-P energy: -42.216 tors. eta vs tors. theta energy: 11.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1294.024791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.024791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.024791 (E_RNA) where: Base-Base interactions energy: -835.705 where: short stacking energy: -380.907 Base-Backbone interact. energy: -2.231 local terms energy: -456.088736 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -105.019 flat angles C4'-P-C4' energy: -105.544 flat angles P-C4'-P energy: -59.051 tors. eta vs tors. theta energy: -95.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1199.541014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.541014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.541014 (E_RNA) where: Base-Base interactions energy: -743.997 where: short stacking energy: -375.738 Base-Backbone interact. energy: -3.546 local terms energy: -451.997859 where: bonds (distance) C4'-P energy: -84.000 bonds (distance) P-C4' energy: -93.237 flat angles C4'-P-C4' energy: -107.801 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -98.306 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: 29 Temperature: 1.000000 Total energy: -1143.053361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.053361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.053361 (E_RNA) where: Base-Base interactions energy: -706.881 where: short stacking energy: -361.451 Base-Backbone interact. energy: 2.991 local terms energy: -439.162952 where: bonds (distance) C4'-P energy: -93.110 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -104.898 flat angles P-C4'-P energy: -56.742 tors. eta vs tors. theta energy: -88.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1027.686416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.686416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.686416 (E_RNA) where: Base-Base interactions energy: -603.316 where: short stacking energy: -315.382 Base-Backbone interact. energy: -0.413 local terms energy: -423.958085 where: bonds (distance) C4'-P energy: -91.109 bonds (distance) P-C4' energy: -101.056 flat angles C4'-P-C4' energy: -93.073 flat angles P-C4'-P energy: -57.600 tors. eta vs tors. theta energy: -81.120 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: 6 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -861.653731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.653731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.653731 (E_RNA) where: Base-Base interactions energy: -511.042 where: short stacking energy: -260.263 Base-Backbone interact. energy: -1.048 local terms energy: -349.563598 where: bonds (distance) C4'-P energy: -67.882 bonds (distance) P-C4' energy: -96.714 flat angles C4'-P-C4' energy: -83.395 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: -48.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -815.410125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.410125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.410125 (E_RNA) where: Base-Base interactions energy: -470.152 where: short stacking energy: -250.706 Base-Backbone interact. energy: 0.227 local terms energy: -345.485049 where: bonds (distance) C4'-P energy: -87.254 bonds (distance) P-C4' energy: -94.365 flat angles C4'-P-C4' energy: -77.924 flat angles P-C4'-P energy: -51.294 tors. eta vs tors. theta energy: -34.648 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: 29 Temperature: 1.200000 Total energy: -696.672666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.672666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.672666 (E_RNA) where: Base-Base interactions energy: -377.788 where: short stacking energy: -178.294 Base-Backbone interact. energy: -2.266 local terms energy: -316.618824 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -91.493 flat angles C4'-P-C4' energy: -84.319 flat angles P-C4'-P energy: -51.373 tors. eta vs tors. theta energy: -9.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -487.385669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.385669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.385669 (E_RNA) where: Base-Base interactions energy: -228.568 where: short stacking energy: -154.735 Base-Backbone interact. energy: -0.489 local terms energy: -258.328693 where: bonds (distance) C4'-P energy: -82.620 bonds (distance) P-C4' energy: -83.118 flat angles C4'-P-C4' energy: -48.993 flat angles P-C4'-P energy: -45.478 tors. eta vs tors. theta energy: 1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -402.604044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.604044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.604044 (E_RNA) where: Base-Base interactions energy: -145.359 where: short stacking energy: -132.382 Base-Backbone interact. energy: 2.182 local terms energy: -259.426581 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -65.769 flat angles C4'-P-C4' energy: -85.146 flat angles P-C4'-P energy: -49.745 tors. eta vs tors. theta energy: 7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -398.761823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.761823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.761823 (E_RNA) where: Base-Base interactions energy: -146.168 where: short stacking energy: -103.330 Base-Backbone interact. energy: -3.680 local terms energy: -248.913891 where: bonds (distance) C4'-P energy: -68.269 bonds (distance) P-C4' energy: -89.413 flat angles C4'-P-C4' energy: -62.220 flat angles P-C4'-P energy: -40.894 tors. eta vs tors. theta energy: 11.882 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: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1286.867290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.867290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.867290 (E_RNA) where: Base-Base interactions energy: -818.688 where: short stacking energy: -406.115 Base-Backbone interact. energy: -3.415 local terms energy: -464.763914 where: bonds (distance) C4'-P energy: -95.561 bonds (distance) P-C4' energy: -91.516 flat angles C4'-P-C4' energy: -106.753 flat angles P-C4'-P energy: -72.797 tors. eta vs tors. theta energy: -98.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1204.678162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.678162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.678162 (E_RNA) where: Base-Base interactions energy: -752.259 where: short stacking energy: -375.824 Base-Backbone interact. energy: -1.732 local terms energy: -450.687699 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -98.669 flat angles C4'-P-C4' energy: -97.581 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -96.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1164.689335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.689335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.689335 (E_RNA) where: Base-Base interactions energy: -721.658 where: short stacking energy: -348.435 Base-Backbone interact. energy: 0.341 local terms energy: -443.371690 where: bonds (distance) C4'-P energy: -98.001 bonds (distance) P-C4' energy: -92.067 flat angles C4'-P-C4' energy: -98.990 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -97.695 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: 8 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1035.049386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.049386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.049386 (E_RNA) where: Base-Base interactions energy: -621.445 where: short stacking energy: -315.682 Base-Backbone interact. energy: -0.669 local terms energy: -412.936049 where: bonds (distance) C4'-P energy: -82.898 bonds (distance) P-C4' energy: -90.040 flat angles C4'-P-C4' energy: -92.555 flat angles P-C4'-P energy: -69.269 tors. eta vs tors. theta energy: -78.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -895.869537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.869537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.869537 (E_RNA) where: Base-Base interactions energy: -533.214 where: short stacking energy: -242.370 Base-Backbone interact. energy: -1.106 local terms energy: -361.550064 where: bonds (distance) C4'-P energy: -71.722 bonds (distance) P-C4' energy: -97.553 flat angles C4'-P-C4' energy: -82.059 flat angles P-C4'-P energy: -57.924 tors. eta vs tors. theta energy: -52.292 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: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -830.577791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.577791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.577791 (E_RNA) where: Base-Base interactions energy: -482.941 where: short stacking energy: -253.525 Base-Backbone interact. energy: -1.963 local terms energy: -345.673003 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -87.238 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -50.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -677.959544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.959544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.959544 (E_RNA) where: Base-Base interactions energy: -359.536 where: short stacking energy: -179.506 Base-Backbone interact. energy: 5.103 local terms energy: -323.525906 where: bonds (distance) C4'-P energy: -84.727 bonds (distance) P-C4' energy: -89.283 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: -14.623 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: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -509.467865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.467865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.467865 (E_RNA) where: Base-Base interactions energy: -211.830 where: short stacking energy: -153.095 Base-Backbone interact. energy: -1.333 local terms energy: -296.304292 where: bonds (distance) C4'-P energy: -72.743 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -455.555402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.555402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.555402 (E_RNA) where: Base-Base interactions energy: -206.927 where: short stacking energy: -167.236 Base-Backbone interact. energy: 1.596 local terms energy: -250.224174 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -74.308 flat angles C4'-P-C4' energy: -58.524 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -450.937951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.937951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.937951 (E_RNA) where: Base-Base interactions energy: -185.640 where: short stacking energy: -142.557 Base-Backbone interact. energy: -0.945 local terms energy: -264.352513 where: bonds (distance) C4'-P energy: -70.949 bonds (distance) P-C4' energy: -92.107 flat angles C4'-P-C4' energy: -65.123 flat angles P-C4'-P energy: -33.173 tors. eta vs tors. theta energy: -3.001 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: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1267.744699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.744699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.744699 (E_RNA) where: Base-Base interactions energy: -804.215 where: short stacking energy: -362.988 Base-Backbone interact. energy: -3.531 local terms energy: -459.998371 where: bonds (distance) C4'-P energy: -97.363 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -100.313 flat angles P-C4'-P energy: -79.018 tors. eta vs tors. theta energy: -100.175 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: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1275.798273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.798273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.798273 (E_RNA) where: Base-Base interactions energy: -829.817 where: short stacking energy: -375.468 Base-Backbone interact. energy: -0.636 local terms energy: -445.345249 where: bonds (distance) C4'-P energy: -90.011 bonds (distance) P-C4' energy: -85.040 flat angles C4'-P-C4' energy: -102.743 flat angles P-C4'-P energy: -64.941 tors. eta vs tors. theta energy: -102.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1161.863515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.863515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.863515 (E_RNA) where: Base-Base interactions energy: -715.145 where: short stacking energy: -373.289 Base-Backbone interact. energy: -1.422 local terms energy: -445.295789 where: bonds (distance) C4'-P energy: -94.575 bonds (distance) P-C4' energy: -95.697 flat angles C4'-P-C4' energy: -96.056 flat angles P-C4'-P energy: -62.961 tors. eta vs tors. theta energy: -96.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1045.364819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.364819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.364819 (E_RNA) where: Base-Base interactions energy: -613.514 where: short stacking energy: -306.058 Base-Backbone interact. energy: -2.639 local terms energy: -429.212095 where: bonds (distance) C4'-P energy: -88.205 bonds (distance) P-C4' energy: -102.118 flat angles C4'-P-C4' energy: -102.206 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -72.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -864.050631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.050631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.050631 (E_RNA) where: Base-Base interactions energy: -529.294 where: short stacking energy: -272.084 Base-Backbone interact. energy: 0.519 local terms energy: -335.275559 where: bonds (distance) C4'-P energy: -70.065 bonds (distance) P-C4' energy: -97.368 flat angles C4'-P-C4' energy: -92.128 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -34.561 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: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -803.290485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.290485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.290485 (E_RNA) where: Base-Base interactions energy: -453.879 where: short stacking energy: -250.778 Base-Backbone interact. energy: 0.510 local terms energy: -349.920914 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -78.739 flat angles C4'-P-C4' energy: -96.463 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -44.016 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: 31 Temperature: 1.200000 Total energy: -607.350002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.350002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.350002 (E_RNA) where: Base-Base interactions energy: -295.987 where: short stacking energy: -170.346 Base-Backbone interact. energy: 0.299 local terms energy: -311.662101 where: bonds (distance) C4'-P energy: -83.856 bonds (distance) P-C4' energy: -86.668 flat angles C4'-P-C4' energy: -71.260 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -527.440191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.440191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.440191 (E_RNA) where: Base-Base interactions energy: -223.481 where: short stacking energy: -149.139 Base-Backbone interact. energy: 1.268 local terms energy: -305.227432 where: bonds (distance) C4'-P energy: -68.468 bonds (distance) P-C4' energy: -96.652 flat angles C4'-P-C4' energy: -84.397 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: -6.108 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: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -409.242832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.242832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.242832 (E_RNA) where: Base-Base interactions energy: -162.456 where: short stacking energy: -128.040 Base-Backbone interact. energy: 1.839 local terms energy: -248.625661 where: bonds (distance) C4'-P energy: -76.522 bonds (distance) P-C4' energy: -72.491 flat angles C4'-P-C4' energy: -55.854 flat angles P-C4'-P energy: -51.493 tors. eta vs tors. theta energy: 7.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -454.182582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.182582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.182582 (E_RNA) where: Base-Base interactions energy: -209.068 where: short stacking energy: -141.683 Base-Backbone interact. energy: 4.448 local terms energy: -249.561727 where: bonds (distance) C4'-P energy: -76.303 bonds (distance) P-C4' energy: -89.593 flat angles C4'-P-C4' energy: -55.280 flat angles P-C4'-P energy: -35.715 tors. eta vs tors. theta energy: 7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1347.397605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.397605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.397605 (E_RNA) where: Base-Base interactions energy: -860.368 where: short stacking energy: -388.699 Base-Backbone interact. energy: -0.151 local terms energy: -486.878705 where: bonds (distance) C4'-P energy: -101.270 bonds (distance) P-C4' energy: -95.203 flat angles C4'-P-C4' energy: -110.256 flat angles P-C4'-P energy: -63.716 tors. eta vs tors. theta energy: -116.433 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: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1215.427822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.427822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.427822 (E_RNA) where: Base-Base interactions energy: -778.334 where: short stacking energy: -351.547 Base-Backbone interact. energy: -2.581 local terms energy: -434.512935 where: bonds (distance) C4'-P energy: -95.774 bonds (distance) P-C4' energy: -85.239 flat angles C4'-P-C4' energy: -97.269 flat angles P-C4'-P energy: -57.723 tors. eta vs tors. theta energy: -98.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1192.315216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.315216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.315216 (E_RNA) where: Base-Base interactions energy: -749.822 where: short stacking energy: -389.712 Base-Backbone interact. energy: -2.390 local terms energy: -440.102296 where: bonds (distance) C4'-P energy: -92.564 bonds (distance) P-C4' energy: -91.715 flat angles C4'-P-C4' energy: -96.471 flat angles P-C4'-P energy: -64.705 tors. eta vs tors. theta energy: -94.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1078.227306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.227306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.227306 (E_RNA) where: Base-Base interactions energy: -663.724 where: short stacking energy: -364.422 Base-Backbone interact. energy: 0.233 local terms energy: -414.736413 where: bonds (distance) C4'-P energy: -77.470 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -96.543 flat angles P-C4'-P energy: -62.353 tors. eta vs tors. theta energy: -92.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -867.350580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.350580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.350580 (E_RNA) where: Base-Base interactions energy: -515.699 where: short stacking energy: -257.229 Base-Backbone interact. energy: -0.725 local terms energy: -350.926958 where: bonds (distance) C4'-P energy: -78.037 bonds (distance) P-C4' energy: -82.096 flat angles C4'-P-C4' energy: -92.088 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -44.779 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: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -772.729704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.729704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.729704 (E_RNA) where: Base-Base interactions energy: -438.408 where: short stacking energy: -214.960 Base-Backbone interact. energy: 1.004 local terms energy: -335.324807 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -89.179 flat angles C4'-P-C4' energy: -67.272 flat angles P-C4'-P energy: -43.526 tors. eta vs tors. theta energy: -38.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -615.310394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.310394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.310394 (E_RNA) where: Base-Base interactions energy: -319.991 where: short stacking energy: -197.774 Base-Backbone interact. energy: 1.122 local terms energy: -296.441446 where: bonds (distance) C4'-P energy: -72.835 bonds (distance) P-C4' energy: -92.853 flat angles C4'-P-C4' energy: -75.850 flat angles P-C4'-P energy: -44.340 tors. eta vs tors. theta energy: -10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -475.668158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.668158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.668158 (E_RNA) where: Base-Base interactions energy: -179.093 where: short stacking energy: -135.829 Base-Backbone interact. energy: -2.136 local terms energy: -294.439322 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -89.638 flat angles C4'-P-C4' energy: -75.378 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: 1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -406.735249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.735249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.735249 (E_RNA) where: Base-Base interactions energy: -125.167 where: short stacking energy: -109.537 Base-Backbone interact. energy: 0.423 local terms energy: -281.991651 where: bonds (distance) C4'-P energy: -91.384 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -65.753 flat angles P-C4'-P energy: -40.803 tors. eta vs tors. theta energy: 11.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -395.382650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.382650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.382650 (E_RNA) where: Base-Base interactions energy: -129.399 where: short stacking energy: -119.175 Base-Backbone interact. energy: 2.395 local terms energy: -268.378677 where: bonds (distance) C4'-P energy: -76.989 bonds (distance) P-C4' energy: -93.075 flat angles C4'-P-C4' energy: -75.819 flat angles P-C4'-P energy: -25.033 tors. eta vs tors. theta energy: 2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1303.015379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.015379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.015379 (E_RNA) where: Base-Base interactions energy: -839.229 where: short stacking energy: -386.429 Base-Backbone interact. energy: -2.836 local terms energy: -460.950635 where: bonds (distance) C4'-P energy: -100.115 bonds (distance) P-C4' energy: -95.271 flat angles C4'-P-C4' energy: -97.051 flat angles P-C4'-P energy: -62.978 tors. eta vs tors. theta energy: -105.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1183.340048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.340048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.340048 (E_RNA) where: Base-Base interactions energy: -726.892 where: short stacking energy: -353.538 Base-Backbone interact. energy: -2.750 local terms energy: -453.698153 where: bonds (distance) C4'-P energy: -93.450 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -113.228 flat angles P-C4'-P energy: -64.925 tors. eta vs tors. theta energy: -89.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1210.593753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.593753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.593753 (E_RNA) where: Base-Base interactions energy: -762.498 where: short stacking energy: -378.932 Base-Backbone interact. energy: -0.573 local terms energy: -447.522889 where: bonds (distance) C4'-P energy: -88.654 bonds (distance) P-C4' energy: -93.116 flat angles C4'-P-C4' energy: -95.100 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -95.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1002.024526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.024526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.024526 (E_RNA) where: Base-Base interactions energy: -617.294 where: short stacking energy: -320.161 Base-Backbone interact. energy: -2.466 local terms energy: -382.264354 where: bonds (distance) C4'-P energy: -80.684 bonds (distance) P-C4' energy: -87.589 flat angles C4'-P-C4' energy: -89.971 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: -71.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -858.926284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.926284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.926284 (E_RNA) where: Base-Base interactions energy: -488.024 where: short stacking energy: -261.996 Base-Backbone interact. energy: -2.753 local terms energy: -368.149573 where: bonds (distance) C4'-P energy: -77.328 bonds (distance) P-C4' energy: -98.940 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -60.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -780.194210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.194210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.194210 (E_RNA) where: Base-Base interactions energy: -447.723 where: short stacking energy: -242.798 Base-Backbone interact. energy: -2.586 local terms energy: -329.885483 where: bonds (distance) C4'-P energy: -72.112 bonds (distance) P-C4' energy: -83.854 flat angles C4'-P-C4' energy: -93.785 flat angles P-C4'-P energy: -47.094 tors. eta vs tors. theta energy: -33.040 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: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -652.379583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.379583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.379583 (E_RNA) where: Base-Base interactions energy: -355.185 where: short stacking energy: -193.238 Base-Backbone interact. energy: 1.317 local terms energy: -298.512399 where: bonds (distance) C4'-P energy: -84.109 bonds (distance) P-C4' energy: -83.576 flat angles C4'-P-C4' energy: -67.007 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -486.251211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.251211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.251211 (E_RNA) where: Base-Base interactions energy: -177.542 where: short stacking energy: -119.536 Base-Backbone interact. energy: -2.965 local terms energy: -305.744752 where: bonds (distance) C4'-P energy: -84.710 bonds (distance) P-C4' energy: -98.504 flat angles C4'-P-C4' energy: -79.642 flat angles P-C4'-P energy: -44.295 tors. eta vs tors. theta energy: 1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -410.318285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.318285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.318285 (E_RNA) where: Base-Base interactions energy: -149.721 where: short stacking energy: -136.549 Base-Backbone interact. energy: 4.256 local terms energy: -264.852630 where: bonds (distance) C4'-P energy: -89.783 bonds (distance) P-C4' energy: -84.284 flat angles C4'-P-C4' energy: -72.889 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: 17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -388.167970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.167970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.167970 (E_RNA) where: Base-Base interactions energy: -113.930 where: short stacking energy: -98.530 Base-Backbone interact. energy: -1.450 local terms energy: -272.788204 where: bonds (distance) C4'-P energy: -81.535 bonds (distance) P-C4' energy: -80.054 flat angles C4'-P-C4' energy: -63.573 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: 4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1347.622786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.622786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.622786 (E_RNA) where: Base-Base interactions energy: -869.099 where: short stacking energy: -419.345 Base-Backbone interact. energy: -3.399 local terms energy: -475.124796 where: bonds (distance) C4'-P energy: -90.233 bonds (distance) P-C4' energy: -106.734 flat angles C4'-P-C4' energy: -99.255 flat angles P-C4'-P energy: -56.766 tors. eta vs tors. theta energy: -122.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1164.159320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.159320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.159320 (E_RNA) where: Base-Base interactions energy: -723.929 where: short stacking energy: -358.539 Base-Backbone interact. energy: -3.546 local terms energy: -436.683972 where: bonds (distance) C4'-P energy: -93.744 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -96.245 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -85.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1190.073719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.073719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.073719 (E_RNA) where: Base-Base interactions energy: -758.435 where: short stacking energy: -382.350 Base-Backbone interact. energy: -1.980 local terms energy: -429.658640 where: bonds (distance) C4'-P energy: -83.209 bonds (distance) P-C4' energy: -87.599 flat angles C4'-P-C4' energy: -98.285 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: -102.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -993.034091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.034091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.034091 (E_RNA) where: Base-Base interactions energy: -588.708 where: short stacking energy: -281.159 Base-Backbone interact. energy: -2.766 local terms energy: -401.560085 where: bonds (distance) C4'-P energy: -94.647 bonds (distance) P-C4' energy: -85.239 flat angles C4'-P-C4' energy: -94.739 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -62.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -899.757261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.757261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.757261 (E_RNA) where: Base-Base interactions energy: -498.281 where: short stacking energy: -270.057 Base-Backbone interact. energy: -1.700 local terms energy: -399.776810 where: bonds (distance) C4'-P energy: -82.053 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -97.868 flat angles P-C4'-P energy: -60.905 tors. eta vs tors. theta energy: -69.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -737.430424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.430424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.430424 (E_RNA) where: Base-Base interactions energy: -399.843 where: short stacking energy: -222.004 Base-Backbone interact. energy: -2.171 local terms energy: -335.416411 where: bonds (distance) C4'-P energy: -76.147 bonds (distance) P-C4' energy: -94.772 flat angles C4'-P-C4' energy: -89.530 flat angles P-C4'-P energy: -46.080 tors. eta vs tors. theta energy: -28.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -680.511174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.511174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.511174 (E_RNA) where: Base-Base interactions energy: -364.989 where: short stacking energy: -206.741 Base-Backbone interact. energy: -0.643 local terms energy: -314.878933 where: bonds (distance) C4'-P energy: -80.318 bonds (distance) P-C4' energy: -88.094 flat angles C4'-P-C4' energy: -62.698 flat angles P-C4'-P energy: -53.679 tors. eta vs tors. theta energy: -30.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -490.350600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.350600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.350600 (E_RNA) where: Base-Base interactions energy: -197.898 where: short stacking energy: -146.152 Base-Backbone interact. energy: -2.053 local terms energy: -290.399200 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -91.581 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: 5.694 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: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -393.472437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.472437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.472437 (E_RNA) where: Base-Base interactions energy: -133.755 where: short stacking energy: -107.502 Base-Backbone interact. energy: 0.711 local terms energy: -260.428552 where: bonds (distance) C4'-P energy: -85.817 bonds (distance) P-C4' energy: -92.313 flat angles C4'-P-C4' energy: -51.774 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: 15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -365.952559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.952559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.952559 (E_RNA) where: Base-Base interactions energy: -128.957 where: short stacking energy: -120.208 Base-Backbone interact. energy: -0.133 local terms energy: -236.862659 where: bonds (distance) C4'-P energy: -61.139 bonds (distance) P-C4' energy: -84.118 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: 12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1343.013534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.013534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.013534 (E_RNA) where: Base-Base interactions energy: -865.867 where: short stacking energy: -397.327 Base-Backbone interact. energy: -0.470 local terms energy: -476.676538 where: bonds (distance) C4'-P energy: -96.130 bonds (distance) P-C4' energy: -102.907 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -59.350 tors. eta vs tors. theta energy: -113.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1196.010473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.010473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.010473 (E_RNA) where: Base-Base interactions energy: -759.639 where: short stacking energy: -364.966 Base-Backbone interact. energy: -1.429 local terms energy: -434.942031 where: bonds (distance) C4'-P energy: -97.615 bonds (distance) P-C4' energy: -80.007 flat angles C4'-P-C4' energy: -103.676 flat angles P-C4'-P energy: -62.908 tors. eta vs tors. theta energy: -90.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1187.593803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.593803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.593803 (E_RNA) where: Base-Base interactions energy: -721.422 where: short stacking energy: -355.384 Base-Backbone interact. energy: -3.541 local terms energy: -462.631420 where: bonds (distance) C4'-P energy: -92.977 bonds (distance) P-C4' energy: -100.288 flat angles C4'-P-C4' energy: -105.470 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -103.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1002.480284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.480284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.480284 (E_RNA) where: Base-Base interactions energy: -607.977 where: short stacking energy: -306.510 Base-Backbone interact. energy: -0.576 local terms energy: -393.927629 where: bonds (distance) C4'-P energy: -93.255 bonds (distance) P-C4' energy: -87.330 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -42.243 tors. eta vs tors. theta energy: -69.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -883.776225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.776225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.776225 (E_RNA) where: Base-Base interactions energy: -503.024 where: short stacking energy: -262.396 Base-Backbone interact. energy: 1.367 local terms energy: -382.119646 where: bonds (distance) C4'-P energy: -90.184 bonds (distance) P-C4' energy: -97.914 flat angles C4'-P-C4' energy: -81.136 flat angles P-C4'-P energy: -55.577 tors. eta vs tors. theta energy: -57.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -727.685099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.685099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.685099 (E_RNA) where: Base-Base interactions energy: -393.504 where: short stacking energy: -224.315 Base-Backbone interact. energy: 1.496 local terms energy: -335.676462 where: bonds (distance) C4'-P energy: -77.683 bonds (distance) P-C4' energy: -99.515 flat angles C4'-P-C4' energy: -87.265 flat angles P-C4'-P energy: -36.675 tors. eta vs tors. theta energy: -34.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -703.355464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.355464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.355464 (E_RNA) where: Base-Base interactions energy: -383.049 where: short stacking energy: -223.178 Base-Backbone interact. energy: 1.872 local terms energy: -322.178654 where: bonds (distance) C4'-P energy: -102.471 bonds (distance) P-C4' energy: -85.399 flat angles C4'-P-C4' energy: -72.430 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: -16.736 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: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -512.925593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.925593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.925593 (E_RNA) where: Base-Base interactions energy: -218.315 where: short stacking energy: -151.468 Base-Backbone interact. energy: -0.381 local terms energy: -294.228834 where: bonds (distance) C4'-P energy: -85.230 bonds (distance) P-C4' energy: -76.790 flat angles C4'-P-C4' energy: -82.770 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -5.385 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: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -457.094683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.094683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.094683 (E_RNA) where: Base-Base interactions energy: -176.303 where: short stacking energy: -120.426 Base-Backbone interact. energy: 0.203 local terms energy: -280.994124 where: bonds (distance) C4'-P energy: -73.868 bonds (distance) P-C4' energy: -91.654 flat angles C4'-P-C4' energy: -62.667 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -374.160974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.160974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.160974 (E_RNA) where: Base-Base interactions energy: -132.630 where: short stacking energy: -129.224 Base-Backbone interact. energy: 0.930 local terms energy: -242.460762 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -76.524 flat angles C4'-P-C4' energy: -60.327 flat angles P-C4'-P energy: -36.615 tors. eta vs tors. theta energy: 8.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1356.160775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.160775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.160775 (E_RNA) where: Base-Base interactions energy: -866.221 where: short stacking energy: -424.802 Base-Backbone interact. energy: -4.986 local terms energy: -484.953784 where: bonds (distance) C4'-P energy: -94.262 bonds (distance) P-C4' energy: -105.258 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -64.761 tors. eta vs tors. theta energy: -114.383 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: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1231.448191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.448191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.448191 (E_RNA) where: Base-Base interactions energy: -784.481 where: short stacking energy: -394.359 Base-Backbone interact. energy: -2.960 local terms energy: -444.007191 where: bonds (distance) C4'-P energy: -100.034 bonds (distance) P-C4' energy: -68.037 flat angles C4'-P-C4' energy: -103.227 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -100.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1124.450059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.450059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.450059 (E_RNA) where: Base-Base interactions energy: -707.332 where: short stacking energy: -337.973 Base-Backbone interact. energy: 1.799 local terms energy: -418.917156 where: bonds (distance) C4'-P energy: -96.985 bonds (distance) P-C4' energy: -80.230 flat angles C4'-P-C4' energy: -93.656 flat angles P-C4'-P energy: -66.680 tors. eta vs tors. theta energy: -81.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1039.439038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.439038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.439038 (E_RNA) where: Base-Base interactions energy: -640.759 where: short stacking energy: -318.752 Base-Backbone interact. energy: -0.942 local terms energy: -397.738310 where: bonds (distance) C4'-P energy: -78.112 bonds (distance) P-C4' energy: -88.234 flat angles C4'-P-C4' energy: -92.520 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -74.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -860.703668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.703668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.703668 (E_RNA) where: Base-Base interactions energy: -479.905 where: short stacking energy: -247.274 Base-Backbone interact. energy: -0.943 local terms energy: -379.855531 where: bonds (distance) C4'-P energy: -95.854 bonds (distance) P-C4' energy: -96.054 flat angles C4'-P-C4' energy: -85.384 flat angles P-C4'-P energy: -55.538 tors. eta vs tors. theta energy: -47.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -769.405126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.405126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.405126 (E_RNA) where: Base-Base interactions energy: -423.172 where: short stacking energy: -224.762 Base-Backbone interact. energy: -1.086 local terms energy: -345.147793 where: bonds (distance) C4'-P energy: -94.367 bonds (distance) P-C4' energy: -81.929 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -55.158 tors. eta vs tors. theta energy: -29.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -763.614842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.614842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.614842 (E_RNA) where: Base-Base interactions energy: -425.230 where: short stacking energy: -190.890 Base-Backbone interact. energy: 2.538 local terms energy: -340.922146 where: bonds (distance) C4'-P energy: -85.755 bonds (distance) P-C4' energy: -88.822 flat angles C4'-P-C4' energy: -94.319 flat angles P-C4'-P energy: -50.217 tors. eta vs tors. theta energy: -21.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -505.802600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.802600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.802600 (E_RNA) where: Base-Base interactions energy: -200.982 where: short stacking energy: -161.067 Base-Backbone interact. energy: 1.387 local terms energy: -306.207765 where: bonds (distance) C4'-P energy: -90.356 bonds (distance) P-C4' energy: -92.063 flat angles C4'-P-C4' energy: -74.471 flat angles P-C4'-P energy: -40.349 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -399.683201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.683201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.683201 (E_RNA) where: Base-Base interactions energy: -158.507 where: short stacking energy: -116.668 Base-Backbone interact. energy: 0.191 local terms energy: -241.367720 where: bonds (distance) C4'-P energy: -73.226 bonds (distance) P-C4' energy: -88.464 flat angles C4'-P-C4' energy: -52.316 flat angles P-C4'-P energy: -33.959 tors. eta vs tors. theta energy: 6.597 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: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -398.231939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.231939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.231939 (E_RNA) where: Base-Base interactions energy: -174.329 where: short stacking energy: -128.135 Base-Backbone interact. energy: 2.760 local terms energy: -226.663189 where: bonds (distance) C4'-P energy: -74.725 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -62.528 flat angles P-C4'-P energy: -37.799 tors. eta vs tors. theta energy: 8.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1336.285873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.285873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.285873 (E_RNA) where: Base-Base interactions energy: -868.835 where: short stacking energy: -413.588 Base-Backbone interact. energy: -1.028 local terms energy: -466.422707 where: bonds (distance) C4'-P energy: -83.953 bonds (distance) P-C4' energy: -95.622 flat angles C4'-P-C4' energy: -97.208 flat angles P-C4'-P energy: -72.332 tors. eta vs tors. theta energy: -117.308 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: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1247.318680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.318680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.318680 (E_RNA) where: Base-Base interactions energy: -778.016 where: short stacking energy: -417.123 Base-Backbone interact. energy: -1.697 local terms energy: -467.606011 where: bonds (distance) C4'-P energy: -89.669 bonds (distance) P-C4' energy: -86.432 flat angles C4'-P-C4' energy: -106.597 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -114.778 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: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1142.105783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.105783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.105783 (E_RNA) where: Base-Base interactions energy: -706.027 where: short stacking energy: -347.446 Base-Backbone interact. energy: -1.089 local terms energy: -434.989727 where: bonds (distance) C4'-P energy: -86.918 bonds (distance) P-C4' energy: -97.446 flat angles C4'-P-C4' energy: -100.930 flat angles P-C4'-P energy: -61.206 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: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1077.215825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.215825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.215825 (E_RNA) where: Base-Base interactions energy: -652.699 where: short stacking energy: -334.253 Base-Backbone interact. energy: -1.031 local terms energy: -423.485417 where: bonds (distance) C4'-P energy: -87.897 bonds (distance) P-C4' energy: -93.402 flat angles C4'-P-C4' energy: -101.276 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -85.712 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: 37 Temperature: 1.100000 Total energy: -915.309271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.309271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.309271 (E_RNA) where: Base-Base interactions energy: -534.650 where: short stacking energy: -234.949 Base-Backbone interact. energy: -2.667 local terms energy: -377.992113 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -95.945 flat angles C4'-P-C4' energy: -93.813 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -48.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -872.648674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.648674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.648674 (E_RNA) where: Base-Base interactions energy: -499.602 where: short stacking energy: -248.065 Base-Backbone interact. energy: -1.204 local terms energy: -371.842980 where: bonds (distance) C4'-P energy: -90.322 bonds (distance) P-C4' energy: -97.547 flat angles C4'-P-C4' energy: -82.022 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: -56.256 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: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -746.352960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.352960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.352960 (E_RNA) where: Base-Base interactions energy: -442.195 where: short stacking energy: -231.621 Base-Backbone interact. energy: 6.447 local terms energy: -310.604952 where: bonds (distance) C4'-P energy: -67.490 bonds (distance) P-C4' energy: -91.895 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -52.740 tors. eta vs tors. theta energy: -28.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -487.032183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.032183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.032183 (E_RNA) where: Base-Base interactions energy: -194.201 where: short stacking energy: -140.717 Base-Backbone interact. energy: 0.633 local terms energy: -293.464485 where: bonds (distance) C4'-P energy: -90.848 bonds (distance) P-C4' energy: -78.429 flat angles C4'-P-C4' energy: -72.524 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -395.226441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.226441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.226441 (E_RNA) where: Base-Base interactions energy: -154.303 where: short stacking energy: -96.272 Base-Backbone interact. energy: -1.078 local terms energy: -239.845285 where: bonds (distance) C4'-P energy: -90.485 bonds (distance) P-C4' energy: -64.245 flat angles C4'-P-C4' energy: -72.528 flat angles P-C4'-P energy: -36.705 tors. eta vs tors. theta energy: 24.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -368.291382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.291382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.291382 (E_RNA) where: Base-Base interactions energy: -118.607 where: short stacking energy: -100.815 Base-Backbone interact. energy: -1.598 local terms energy: -248.086046 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -70.434 flat angles C4'-P-C4' energy: -79.316 flat angles P-C4'-P energy: -32.472 tors. eta vs tors. theta energy: 23.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1337.649813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.649813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.649813 (E_RNA) where: Base-Base interactions energy: -855.228 where: short stacking energy: -434.201 Base-Backbone interact. energy: -4.006 local terms energy: -478.416483 where: bonds (distance) C4'-P energy: -97.745 bonds (distance) P-C4' energy: -102.208 flat angles C4'-P-C4' energy: -94.759 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -109.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1257.857703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.857703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.857703 (E_RNA) where: Base-Base interactions energy: -789.293 where: short stacking energy: -397.616 Base-Backbone interact. energy: -2.745 local terms energy: -465.819669 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -95.237 flat angles C4'-P-C4' energy: -101.682 flat angles P-C4'-P energy: -64.308 tors. eta vs tors. theta energy: -112.522 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: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1140.183892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.183892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.183892 (E_RNA) where: Base-Base interactions energy: -714.646 where: short stacking energy: -340.737 Base-Backbone interact. energy: -0.529 local terms energy: -425.008974 where: bonds (distance) C4'-P energy: -87.682 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -88.441 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -93.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1054.094454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.094454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.094454 (E_RNA) where: Base-Base interactions energy: -652.747 where: short stacking energy: -300.122 Base-Backbone interact. energy: -1.136 local terms energy: -400.211151 where: bonds (distance) C4'-P energy: -90.301 bonds (distance) P-C4' energy: -100.819 flat angles C4'-P-C4' energy: -81.958 flat angles P-C4'-P energy: -50.620 tors. eta vs tors. theta energy: -76.513 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -930.615590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.615590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.615590 (E_RNA) where: Base-Base interactions energy: -570.227 where: short stacking energy: -272.868 Base-Backbone interact. energy: 3.095 local terms energy: -363.482872 where: bonds (distance) C4'-P energy: -83.687 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -86.597 flat angles P-C4'-P energy: -54.634 tors. eta vs tors. theta energy: -53.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -897.792538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.792538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.792538 (E_RNA) where: Base-Base interactions energy: -544.945 where: short stacking energy: -267.567 Base-Backbone interact. energy: 1.267 local terms energy: -354.114680 where: bonds (distance) C4'-P energy: -84.712 bonds (distance) P-C4' energy: -90.977 flat angles C4'-P-C4' energy: -77.430 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -39.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -750.381482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.381482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.381482 (E_RNA) where: Base-Base interactions energy: -416.314 where: short stacking energy: -212.742 Base-Backbone interact. energy: 4.513 local terms energy: -338.580172 where: bonds (distance) C4'-P energy: -88.837 bonds (distance) P-C4' energy: -92.720 flat angles C4'-P-C4' energy: -74.791 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: -29.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -481.199081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.199081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.199081 (E_RNA) where: Base-Base interactions energy: -195.911 where: short stacking energy: -134.844 Base-Backbone interact. energy: 1.541 local terms energy: -286.828738 where: bonds (distance) C4'-P energy: -75.542 bonds (distance) P-C4' energy: -87.986 flat angles C4'-P-C4' energy: -70.098 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -10.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -422.101778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.101778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.101778 (E_RNA) where: Base-Base interactions energy: -133.807 where: short stacking energy: -116.253 Base-Backbone interact. energy: -4.217 local terms energy: -284.077104 where: bonds (distance) C4'-P energy: -71.620 bonds (distance) P-C4' energy: -91.693 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -44.565 tors. eta vs tors. theta energy: -10.481 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: 38 Temperature: 1.350000 Total energy: -360.957538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.957538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.957538 (E_RNA) where: Base-Base interactions energy: -112.653 where: short stacking energy: -91.676 Base-Backbone interact. energy: -0.747 local terms energy: -247.557458 where: bonds (distance) C4'-P energy: -78.577 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -69.896 flat angles P-C4'-P energy: -37.261 tors. eta vs tors. theta energy: 20.422 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: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1344.686460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.686460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.686460 (E_RNA) where: Base-Base interactions energy: -845.374 where: short stacking energy: -431.744 Base-Backbone interact. energy: -1.654 local terms energy: -497.658492 where: bonds (distance) C4'-P energy: -103.903 bonds (distance) P-C4' energy: -108.966 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -69.155 tors. eta vs tors. theta energy: -116.584 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: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1253.268867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.268867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.268867 (E_RNA) where: Base-Base interactions energy: -789.223 where: short stacking energy: -403.590 Base-Backbone interact. energy: 4.099 local terms energy: -468.145352 where: bonds (distance) C4'-P energy: -96.091 bonds (distance) P-C4' energy: -93.253 flat angles C4'-P-C4' energy: -97.139 flat angles P-C4'-P energy: -77.742 tors. eta vs tors. theta energy: -103.921 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: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1161.189013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.189013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.189013 (E_RNA) where: Base-Base interactions energy: -711.122 where: short stacking energy: -357.199 Base-Backbone interact. energy: -1.656 local terms energy: -448.411178 where: bonds (distance) C4'-P energy: -102.718 bonds (distance) P-C4' energy: -87.689 flat angles C4'-P-C4' energy: -98.717 flat angles P-C4'-P energy: -67.499 tors. eta vs tors. theta energy: -91.788 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: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1048.291868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.291868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.291868 (E_RNA) where: Base-Base interactions energy: -642.523 where: short stacking energy: -310.073 Base-Backbone interact. energy: -1.992 local terms energy: -403.776631 where: bonds (distance) C4'-P energy: -94.944 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -86.731 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -80.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -923.845069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.845069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.845069 (E_RNA) where: Base-Base interactions energy: -564.561 where: short stacking energy: -270.136 Base-Backbone interact. energy: 2.471 local terms energy: -361.755087 where: bonds (distance) C4'-P energy: -72.595 bonds (distance) P-C4' energy: -94.074 flat angles C4'-P-C4' energy: -95.140 flat angles P-C4'-P energy: -50.850 tors. eta vs tors. theta energy: -49.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -847.051389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.051389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.051389 (E_RNA) where: Base-Base interactions energy: -508.831 where: short stacking energy: -236.928 Base-Backbone interact. energy: 0.984 local terms energy: -339.204154 where: bonds (distance) C4'-P energy: -80.624 bonds (distance) P-C4' energy: -76.995 flat angles C4'-P-C4' energy: -79.421 flat angles P-C4'-P energy: -52.762 tors. eta vs tors. theta energy: -49.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -770.741905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.741905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.741905 (E_RNA) where: Base-Base interactions energy: -440.510 where: short stacking energy: -216.899 Base-Backbone interact. energy: -2.579 local terms energy: -327.653089 where: bonds (distance) C4'-P energy: -81.693 bonds (distance) P-C4' energy: -81.921 flat angles C4'-P-C4' energy: -87.914 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -26.653 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -499.874062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.874062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.874062 (E_RNA) where: Base-Base interactions energy: -221.912 where: short stacking energy: -133.273 Base-Backbone interact. energy: -0.169 local terms energy: -277.793480 where: bonds (distance) C4'-P energy: -83.951 bonds (distance) P-C4' energy: -88.626 flat angles C4'-P-C4' energy: -60.263 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: 4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -425.985961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.985961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.985961 (E_RNA) where: Base-Base interactions energy: -140.402 where: short stacking energy: -117.148 Base-Backbone interact. energy: 3.875 local terms energy: -289.458408 where: bonds (distance) C4'-P energy: -80.597 bonds (distance) P-C4' energy: -82.940 flat angles C4'-P-C4' energy: -74.701 flat angles P-C4'-P energy: -57.999 tors. eta vs tors. theta energy: 6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -385.618478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.618478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.618478 (E_RNA) where: Base-Base interactions energy: -117.958 where: short stacking energy: -107.725 Base-Backbone interact. energy: -2.383 local terms energy: -265.277263 where: bonds (distance) C4'-P energy: -84.583 bonds (distance) P-C4' energy: -87.621 flat angles C4'-P-C4' energy: -66.747 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: 11.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1384.170164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.170164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.170164 (E_RNA) where: Base-Base interactions energy: -907.830 where: short stacking energy: -439.533 Base-Backbone interact. energy: -4.170 local terms energy: -472.170073 where: bonds (distance) C4'-P energy: -93.802 bonds (distance) P-C4' energy: -85.230 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -118.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1277.083793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.083793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.083793 (E_RNA) where: Base-Base interactions energy: -815.353 where: short stacking energy: -383.421 Base-Backbone interact. energy: -0.211 local terms energy: -461.519693 where: bonds (distance) C4'-P energy: -91.259 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -110.258 flat angles P-C4'-P energy: -70.532 tors. eta vs tors. theta energy: -104.539 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: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1132.022599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.022599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.022599 (E_RNA) where: Base-Base interactions energy: -703.302 where: short stacking energy: -322.385 Base-Backbone interact. energy: -3.416 local terms energy: -425.304988 where: bonds (distance) C4'-P energy: -88.032 bonds (distance) P-C4' energy: -96.488 flat angles C4'-P-C4' energy: -98.272 flat angles P-C4'-P energy: -61.306 tors. eta vs tors. theta energy: -81.208 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: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1029.368429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.368429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.368429 (E_RNA) where: Base-Base interactions energy: -613.336 where: short stacking energy: -302.991 Base-Backbone interact. energy: -2.156 local terms energy: -413.876569 where: bonds (distance) C4'-P energy: -99.481 bonds (distance) P-C4' energy: -95.823 flat angles C4'-P-C4' energy: -91.785 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: -66.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -943.454188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.454188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.454188 (E_RNA) where: Base-Base interactions energy: -588.249 where: short stacking energy: -268.219 Base-Backbone interact. energy: 2.409 local terms energy: -357.614199 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -87.113 flat angles C4'-P-C4' energy: -80.152 flat angles P-C4'-P energy: -51.074 tors. eta vs tors. theta energy: -49.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -825.790419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.790419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.790419 (E_RNA) where: Base-Base interactions energy: -506.837 where: short stacking energy: -235.807 Base-Backbone interact. energy: -1.037 local terms energy: -317.915880 where: bonds (distance) C4'-P energy: -74.208 bonds (distance) P-C4' energy: -84.155 flat angles C4'-P-C4' energy: -81.237 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -27.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -740.366589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.366589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.366589 (E_RNA) where: Base-Base interactions energy: -404.059 where: short stacking energy: -196.343 Base-Backbone interact. energy: -1.238 local terms energy: -335.069975 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -76.313 flat angles C4'-P-C4' energy: -84.627 flat angles P-C4'-P energy: -58.866 tors. eta vs tors. theta energy: -31.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -486.812041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.812041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.812041 (E_RNA) where: Base-Base interactions energy: -199.229 where: short stacking energy: -135.850 Base-Backbone interact. energy: -0.048 local terms energy: -287.535430 where: bonds (distance) C4'-P energy: -89.789 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -62.700 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: 0.096 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: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -498.778007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.778007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.778007 (E_RNA) where: Base-Base interactions energy: -226.771 where: short stacking energy: -147.480 Base-Backbone interact. energy: -1.359 local terms energy: -270.648043 where: bonds (distance) C4'-P energy: -70.105 bonds (distance) P-C4' energy: -79.273 flat angles C4'-P-C4' energy: -73.152 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: 0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -388.348121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.348121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.348121 (E_RNA) where: Base-Base interactions energy: -143.844 where: short stacking energy: -126.241 Base-Backbone interact. energy: 6.960 local terms energy: -251.464648 where: bonds (distance) C4'-P energy: -74.765 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -56.749 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1426.521955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.521955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.521955 (E_RNA) where: Base-Base interactions energy: -919.068 where: short stacking energy: -453.272 Base-Backbone interact. energy: -5.152 local terms energy: -502.302509 where: bonds (distance) C4'-P energy: -99.603 bonds (distance) P-C4' energy: -97.052 flat angles C4'-P-C4' energy: -101.714 flat angles P-C4'-P energy: -71.904 tors. eta vs tors. theta energy: -132.029 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: 41 Temperature: 0.950000 Total energy: -1253.842024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.842024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.842024 (E_RNA) where: Base-Base interactions energy: -787.588 where: short stacking energy: -382.679 Base-Backbone interact. energy: -3.253 local terms energy: -463.000617 where: bonds (distance) C4'-P energy: -98.529 bonds (distance) P-C4' energy: -96.487 flat angles C4'-P-C4' energy: -98.134 flat angles P-C4'-P energy: -73.164 tors. eta vs tors. theta energy: -96.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1138.374192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.374192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.374192 (E_RNA) where: Base-Base interactions energy: -702.188 where: short stacking energy: -333.198 Base-Backbone interact. energy: -2.433 local terms energy: -433.753497 where: bonds (distance) C4'-P energy: -90.238 bonds (distance) P-C4' energy: -104.582 flat angles C4'-P-C4' energy: -84.025 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: -88.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1056.818666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.818666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.818666 (E_RNA) where: Base-Base interactions energy: -643.312 where: short stacking energy: -328.579 Base-Backbone interact. energy: -0.426 local terms energy: -413.080742 where: bonds (distance) C4'-P energy: -81.420 bonds (distance) P-C4' energy: -94.508 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -65.246 tors. eta vs tors. theta energy: -79.053 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: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -949.554770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.554770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.554770 (E_RNA) where: Base-Base interactions energy: -592.765 where: short stacking energy: -274.576 Base-Backbone interact. energy: 1.986 local terms energy: -358.775739 where: bonds (distance) C4'-P energy: -80.332 bonds (distance) P-C4' energy: -81.720 flat angles C4'-P-C4' energy: -85.999 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -51.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -737.254385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.254385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.254385 (E_RNA) where: Base-Base interactions energy: -412.534 where: short stacking energy: -219.982 Base-Backbone interact. energy: -0.386 local terms energy: -324.334431 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -91.334 flat angles C4'-P-C4' energy: -89.111 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -21.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -796.430660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.430660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.430660 (E_RNA) where: Base-Base interactions energy: -453.839 where: short stacking energy: -219.253 Base-Backbone interact. energy: -2.434 local terms energy: -340.157481 where: bonds (distance) C4'-P energy: -76.700 bonds (distance) P-C4' energy: -83.260 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -37.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -551.679765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.679765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.679765 (E_RNA) where: Base-Base interactions energy: -244.662 where: short stacking energy: -156.406 Base-Backbone interact. energy: 0.049 local terms energy: -307.066836 where: bonds (distance) C4'-P energy: -91.254 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -458.262149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.262149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.262149 (E_RNA) where: Base-Base interactions energy: -174.461 where: short stacking energy: -124.163 Base-Backbone interact. energy: -1.607 local terms energy: -282.193932 where: bonds (distance) C4'-P energy: -87.860 bonds (distance) P-C4' energy: -68.526 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -373.572346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.572346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.572346 (E_RNA) where: Base-Base interactions energy: -118.265 where: short stacking energy: -98.135 Base-Backbone interact. energy: -1.946 local terms energy: -253.361478 where: bonds (distance) C4'-P energy: -74.336 bonds (distance) P-C4' energy: -90.778 flat angles C4'-P-C4' energy: -65.466 flat angles P-C4'-P energy: -44.832 tors. eta vs tors. theta energy: 22.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1431.729881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.729881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.729881 (E_RNA) where: Base-Base interactions energy: -914.574 where: short stacking energy: -438.319 Base-Backbone interact. energy: -3.255 local terms energy: -513.900836 where: bonds (distance) C4'-P energy: -102.906 bonds (distance) P-C4' energy: -93.766 flat angles C4'-P-C4' energy: -104.232 flat angles P-C4'-P energy: -81.043 tors. eta vs tors. theta energy: -131.954 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: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1249.072642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.072642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.072642 (E_RNA) where: Base-Base interactions energy: -786.275 where: short stacking energy: -377.948 Base-Backbone interact. energy: -3.877 local terms energy: -458.920568 where: bonds (distance) C4'-P energy: -93.781 bonds (distance) P-C4' energy: -94.692 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -96.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1156.331449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.331449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.331449 (E_RNA) where: Base-Base interactions energy: -701.108 where: short stacking energy: -325.222 Base-Backbone interact. energy: -2.220 local terms energy: -453.003774 where: bonds (distance) C4'-P energy: -94.148 bonds (distance) P-C4' energy: -101.085 flat angles C4'-P-C4' energy: -109.086 flat angles P-C4'-P energy: -69.320 tors. eta vs tors. theta energy: -79.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1048.688140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.688140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.688140 (E_RNA) where: Base-Base interactions energy: -620.699 where: short stacking energy: -316.624 Base-Backbone interact. energy: -2.024 local terms energy: -425.964945 where: bonds (distance) C4'-P energy: -90.669 bonds (distance) P-C4' energy: -101.116 flat angles C4'-P-C4' energy: -90.542 flat angles P-C4'-P energy: -58.324 tors. eta vs tors. theta energy: -85.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -920.725722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.725722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.725722 (E_RNA) where: Base-Base interactions energy: -570.523 where: short stacking energy: -272.609 Base-Backbone interact. energy: 2.125 local terms energy: -352.327742 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -79.785 flat angles C4'-P-C4' energy: -85.396 flat angles P-C4'-P energy: -53.560 tors. eta vs tors. theta energy: -56.413 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: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -766.467451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.467451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.467451 (E_RNA) where: Base-Base interactions energy: -441.913 where: short stacking energy: -208.309 Base-Backbone interact. energy: -0.369 local terms energy: -324.185256 where: bonds (distance) C4'-P energy: -60.135 bonds (distance) P-C4' energy: -96.270 flat angles C4'-P-C4' energy: -95.191 flat angles P-C4'-P energy: -47.045 tors. eta vs tors. theta energy: -25.544 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -749.453856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.453856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.453856 (E_RNA) where: Base-Base interactions energy: -453.625 where: short stacking energy: -226.074 Base-Backbone interact. energy: -0.446 local terms energy: -295.383001 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -76.607 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: -21.521 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: 42 Temperature: 1.250000 Total energy: -549.417843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.417843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.417843 (E_RNA) where: Base-Base interactions energy: -278.798 where: short stacking energy: -168.177 Base-Backbone interact. energy: -2.570 local terms energy: -268.049400 where: bonds (distance) C4'-P energy: -63.231 bonds (distance) P-C4' energy: -78.747 flat angles C4'-P-C4' energy: -76.991 flat angles P-C4'-P energy: -31.536 tors. eta vs tors. theta energy: -17.543 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: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -491.935158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.935158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.935158 (E_RNA) where: Base-Base interactions energy: -213.791 where: short stacking energy: -141.898 Base-Backbone interact. energy: -1.808 local terms energy: -276.336246 where: bonds (distance) C4'-P energy: -75.395 bonds (distance) P-C4' energy: -77.278 flat angles C4'-P-C4' energy: -87.935 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: 6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -372.468106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.468106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.468106 (E_RNA) where: Base-Base interactions energy: -119.373 where: short stacking energy: -117.493 Base-Backbone interact. energy: 2.910 local terms energy: -256.004495 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -81.033 flat angles C4'-P-C4' energy: -60.481 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: 2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1428.151026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.151026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.151026 (E_RNA) where: Base-Base interactions energy: -940.849 where: short stacking energy: -443.874 Base-Backbone interact. energy: -2.280 local terms energy: -485.022476 where: bonds (distance) C4'-P energy: -93.964 bonds (distance) P-C4' energy: -101.442 flat angles C4'-P-C4' energy: -97.187 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: -126.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1267.405222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.405222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.405222 (E_RNA) where: Base-Base interactions energy: -811.943 where: short stacking energy: -408.459 Base-Backbone interact. energy: 0.842 local terms energy: -456.304031 where: bonds (distance) C4'-P energy: -97.509 bonds (distance) P-C4' energy: -84.892 flat angles C4'-P-C4' energy: -106.152 flat angles P-C4'-P energy: -57.871 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: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1140.822459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.822459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.822459 (E_RNA) where: Base-Base interactions energy: -704.089 where: short stacking energy: -338.422 Base-Backbone interact. energy: -3.209 local terms energy: -433.524593 where: bonds (distance) C4'-P energy: -98.330 bonds (distance) P-C4' energy: -101.892 flat angles C4'-P-C4' energy: -87.925 flat angles P-C4'-P energy: -62.556 tors. eta vs tors. theta energy: -82.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1046.858427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.858427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.858427 (E_RNA) where: Base-Base interactions energy: -618.591 where: short stacking energy: -312.040 Base-Backbone interact. energy: -1.605 local terms energy: -426.662467 where: bonds (distance) C4'-P energy: -71.533 bonds (distance) P-C4' energy: -99.730 flat angles C4'-P-C4' energy: -96.115 flat angles P-C4'-P energy: -75.055 tors. eta vs tors. theta energy: -84.230 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -921.730066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.730066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.730066 (E_RNA) where: Base-Base interactions energy: -590.381 where: short stacking energy: -288.060 Base-Backbone interact. energy: 4.705 local terms energy: -336.054079 where: bonds (distance) C4'-P energy: -78.782 bonds (distance) P-C4' energy: -78.157 flat angles C4'-P-C4' energy: -79.574 flat angles P-C4'-P energy: -48.556 tors. eta vs tors. theta energy: -50.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -789.605330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.605330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.605330 (E_RNA) where: Base-Base interactions energy: -452.911 where: short stacking energy: -237.883 Base-Backbone interact. energy: -0.716 local terms energy: -335.978205 where: bonds (distance) C4'-P energy: -63.637 bonds (distance) P-C4' energy: -86.259 flat angles C4'-P-C4' energy: -86.122 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -38.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -716.672691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.672691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.672691 (E_RNA) where: Base-Base interactions energy: -413.713 where: short stacking energy: -196.158 Base-Backbone interact. energy: 1.389 local terms energy: -304.348886 where: bonds (distance) C4'-P energy: -73.521 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -83.108 flat angles P-C4'-P energy: -42.070 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: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -554.619341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.619341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.619341 (E_RNA) where: Base-Base interactions energy: -250.264 where: short stacking energy: -143.182 Base-Backbone interact. energy: -0.780 local terms energy: -303.575906 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -97.094 flat angles C4'-P-C4' energy: -79.679 flat angles P-C4'-P energy: -52.861 tors. eta vs tors. theta energy: -4.065 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: 43 Temperature: 1.300000 Total energy: -429.945013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.945013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.945013 (E_RNA) where: Base-Base interactions energy: -142.077 where: short stacking energy: -115.157 Base-Backbone interact. energy: 1.050 local terms energy: -288.918741 where: bonds (distance) C4'-P energy: -89.624 bonds (distance) P-C4' energy: -96.213 flat angles C4'-P-C4' energy: -72.057 flat angles P-C4'-P energy: -45.409 tors. eta vs tors. theta energy: 14.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -388.416639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.416639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.416639 (E_RNA) where: Base-Base interactions energy: -116.836 where: short stacking energy: -106.855 Base-Backbone interact. energy: 3.699 local terms energy: -275.279729 where: bonds (distance) C4'-P energy: -86.617 bonds (distance) P-C4' energy: -92.735 flat angles C4'-P-C4' energy: -66.410 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: 15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1412.630304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.630304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.630304 (E_RNA) where: Base-Base interactions energy: -929.376 where: short stacking energy: -429.828 Base-Backbone interact. energy: -1.253 local terms energy: -482.001422 where: bonds (distance) C4'-P energy: -91.608 bonds (distance) P-C4' energy: -90.949 flat angles C4'-P-C4' energy: -105.439 flat angles P-C4'-P energy: -68.068 tors. eta vs tors. theta energy: -125.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1272.397938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.397938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.397938 (E_RNA) where: Base-Base interactions energy: -812.659 where: short stacking energy: -368.882 Base-Backbone interact. energy: -3.913 local terms energy: -455.825602 where: bonds (distance) C4'-P energy: -94.747 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -103.379 flat angles P-C4'-P energy: -69.312 tors. eta vs tors. theta energy: -94.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1122.979374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.979374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.979374 (E_RNA) where: Base-Base interactions energy: -680.764 where: short stacking energy: -374.389 Base-Backbone interact. energy: 1.996 local terms energy: -444.211326 where: bonds (distance) C4'-P energy: -87.436 bonds (distance) P-C4' energy: -95.594 flat angles C4'-P-C4' energy: -95.612 flat angles P-C4'-P energy: -63.802 tors. eta vs tors. theta energy: -101.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1062.473735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.473735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.473735 (E_RNA) where: Base-Base interactions energy: -690.666 where: short stacking energy: -314.735 Base-Backbone interact. energy: -2.909 local terms energy: -368.898700 where: bonds (distance) C4'-P energy: -82.756 bonds (distance) P-C4' energy: -85.052 flat angles C4'-P-C4' energy: -85.706 flat angles P-C4'-P energy: -54.989 tors. eta vs tors. theta energy: -60.396 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: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -969.959416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.959416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.959416 (E_RNA) where: Base-Base interactions energy: -609.897 where: short stacking energy: -296.492 Base-Backbone interact. energy: -1.143 local terms energy: -358.919405 where: bonds (distance) C4'-P energy: -74.426 bonds (distance) P-C4' energy: -84.790 flat angles C4'-P-C4' energy: -89.855 flat angles P-C4'-P energy: -60.139 tors. eta vs tors. theta energy: -49.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -800.718505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.718505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.718505 (E_RNA) where: Base-Base interactions energy: -444.253 where: short stacking energy: -224.297 Base-Backbone interact. energy: -2.000 local terms energy: -354.465196 where: bonds (distance) C4'-P energy: -92.676 bonds (distance) P-C4' energy: -95.890 flat angles C4'-P-C4' energy: -86.465 flat angles P-C4'-P energy: -55.782 tors. eta vs tors. theta energy: -23.652 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: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -735.206773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.206773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.206773 (E_RNA) where: Base-Base interactions energy: -419.171 where: short stacking energy: -214.452 Base-Backbone interact. energy: -2.407 local terms energy: -313.628789 where: bonds (distance) C4'-P energy: -67.742 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -80.206 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -43.400 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: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -646.374980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.374980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.374980 (E_RNA) where: Base-Base interactions energy: -341.172 where: short stacking energy: -182.915 Base-Backbone interact. energy: 2.673 local terms energy: -307.876315 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -87.987 flat angles C4'-P-C4' energy: -76.268 flat angles P-C4'-P energy: -40.838 tors. eta vs tors. theta energy: -23.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -398.388311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.388311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.388311 (E_RNA) where: Base-Base interactions energy: -166.152 where: short stacking energy: -134.658 Base-Backbone interact. energy: -1.375 local terms energy: -230.861045 where: bonds (distance) C4'-P energy: -67.831 bonds (distance) P-C4' energy: -86.737 flat angles C4'-P-C4' energy: -55.516 flat angles P-C4'-P energy: -33.106 tors. eta vs tors. theta energy: 12.328 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -409.891625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.891625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.891625 (E_RNA) where: Base-Base interactions energy: -161.792 where: short stacking energy: -107.450 Base-Backbone interact. energy: -3.273 local terms energy: -244.826838 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -79.312 flat angles C4'-P-C4' energy: -65.909 flat angles P-C4'-P energy: -41.248 tors. eta vs tors. theta energy: 23.078 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: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1469.695338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.695338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.695338 (E_RNA) where: Base-Base interactions energy: -960.073 where: short stacking energy: -449.541 Base-Backbone interact. energy: -3.040 local terms energy: -506.582124 where: bonds (distance) C4'-P energy: -95.242 bonds (distance) P-C4' energy: -95.498 flat angles C4'-P-C4' energy: -112.838 flat angles P-C4'-P energy: -66.808 tors. eta vs tors. theta energy: -136.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1274.385120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.385120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.385120 (E_RNA) where: Base-Base interactions energy: -815.749 where: short stacking energy: -395.325 Base-Backbone interact. energy: 1.825 local terms energy: -460.460788 where: bonds (distance) C4'-P energy: -95.464 bonds (distance) P-C4' energy: -88.737 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -64.943 tors. eta vs tors. theta energy: -113.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1112.258966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.258966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.258966 (E_RNA) where: Base-Base interactions energy: -672.409 where: short stacking energy: -357.489 Base-Backbone interact. energy: -1.154 local terms energy: -438.696211 where: bonds (distance) C4'-P energy: -97.618 bonds (distance) P-C4' energy: -87.305 flat angles C4'-P-C4' energy: -99.039 flat angles P-C4'-P energy: -56.634 tors. eta vs tors. theta energy: -98.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1043.480535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.480535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.480535 (E_RNA) where: Base-Base interactions energy: -632.601 where: short stacking energy: -311.881 Base-Backbone interact. energy: 2.118 local terms energy: -412.997158 where: bonds (distance) C4'-P energy: -88.945 bonds (distance) P-C4' energy: -104.908 flat angles C4'-P-C4' energy: -80.608 flat angles P-C4'-P energy: -57.764 tors. eta vs tors. theta energy: -80.772 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: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -957.424757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.424757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.424757 (E_RNA) where: Base-Base interactions energy: -594.183 where: short stacking energy: -307.115 Base-Backbone interact. energy: 5.834 local terms energy: -369.076065 where: bonds (distance) C4'-P energy: -70.616 bonds (distance) P-C4' energy: -91.728 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: -68.682 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: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -778.125799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.125799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.125799 (E_RNA) where: Base-Base interactions energy: -430.349 where: short stacking energy: -220.533 Base-Backbone interact. energy: -2.866 local terms energy: -344.911024 where: bonds (distance) C4'-P energy: -80.975 bonds (distance) P-C4' energy: -80.222 flat angles C4'-P-C4' energy: -82.351 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -40.070 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: 9 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -703.085020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.085020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.085020 (E_RNA) where: Base-Base interactions energy: -386.816 where: short stacking energy: -200.845 Base-Backbone interact. energy: -3.193 local terms energy: -313.076116 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -86.665 flat angles C4'-P-C4' energy: -85.371 flat angles P-C4'-P energy: -47.862 tors. eta vs tors. theta energy: -19.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -711.302716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.302716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.302716 (E_RNA) where: Base-Base interactions energy: -406.869 where: short stacking energy: -221.807 Base-Backbone interact. energy: -0.858 local terms energy: -303.575039 where: bonds (distance) C4'-P energy: -70.555 bonds (distance) P-C4' energy: -80.623 flat angles C4'-P-C4' energy: -81.421 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -27.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -418.990699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.990699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.990699 (E_RNA) where: Base-Base interactions energy: -150.306 where: short stacking energy: -119.052 Base-Backbone interact. energy: 0.374 local terms energy: -269.057834 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -86.592 flat angles C4'-P-C4' energy: -83.913 flat angles P-C4'-P energy: -41.919 tors. eta vs tors. theta energy: 7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -391.089920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.089920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.089920 (E_RNA) where: Base-Base interactions energy: -162.234 where: short stacking energy: -125.729 Base-Backbone interact. energy: 3.108 local terms energy: -231.964736 where: bonds (distance) C4'-P energy: -73.277 bonds (distance) P-C4' energy: -80.207 flat angles C4'-P-C4' energy: -55.562 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: 13.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1453.798431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.798431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.798431 (E_RNA) where: Base-Base interactions energy: -961.341 where: short stacking energy: -437.661 Base-Backbone interact. energy: -1.388 local terms energy: -491.069415 where: bonds (distance) C4'-P energy: -81.916 bonds (distance) P-C4' energy: -100.447 flat angles C4'-P-C4' energy: -102.316 flat angles P-C4'-P energy: -71.099 tors. eta vs tors. theta energy: -135.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1247.481874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.481874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.481874 (E_RNA) where: Base-Base interactions energy: -758.100 where: short stacking energy: -386.773 Base-Backbone interact. energy: -0.947 local terms energy: -488.434784 where: bonds (distance) C4'-P energy: -96.784 bonds (distance) P-C4' energy: -111.668 flat angles C4'-P-C4' energy: -107.453 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -104.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1109.986842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.986842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.986842 (E_RNA) where: Base-Base interactions energy: -668.694 where: short stacking energy: -352.064 Base-Backbone interact. energy: 4.764 local terms energy: -446.056812 where: bonds (distance) C4'-P energy: -91.975 bonds (distance) P-C4' energy: -98.191 flat angles C4'-P-C4' energy: -91.594 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -96.323 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: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1019.836858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.836858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.836858 (E_RNA) where: Base-Base interactions energy: -624.244 where: short stacking energy: -316.434 Base-Backbone interact. energy: -0.031 local terms energy: -395.562254 where: bonds (distance) C4'-P energy: -88.352 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -96.619 flat angles P-C4'-P energy: -49.760 tors. eta vs tors. theta energy: -66.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -910.550298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.550298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.550298 (E_RNA) where: Base-Base interactions energy: -549.383 where: short stacking energy: -254.997 Base-Backbone interact. energy: -1.322 local terms energy: -359.845173 where: bonds (distance) C4'-P energy: -88.534 bonds (distance) P-C4' energy: -97.806 flat angles C4'-P-C4' energy: -85.222 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -39.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -839.702191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.702191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.702191 (E_RNA) where: Base-Base interactions energy: -462.676 where: short stacking energy: -235.956 Base-Backbone interact. energy: -3.264 local terms energy: -373.761626 where: bonds (distance) C4'-P energy: -80.432 bonds (distance) P-C4' energy: -92.402 flat angles C4'-P-C4' energy: -92.905 flat angles P-C4'-P energy: -61.343 tors. eta vs tors. theta energy: -46.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -707.748851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.748851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.748851 (E_RNA) where: Base-Base interactions energy: -401.505 where: short stacking energy: -211.251 Base-Backbone interact. energy: -3.625 local terms energy: -302.618854 where: bonds (distance) C4'-P energy: -86.239 bonds (distance) P-C4' energy: -90.656 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -35.701 tors. eta vs tors. theta energy: -11.291 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: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -658.322398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.322398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.322398 (E_RNA) where: Base-Base interactions energy: -359.670 where: short stacking energy: -200.992 Base-Backbone interact. energy: -2.342 local terms energy: -296.310407 where: bonds (distance) C4'-P energy: -73.066 bonds (distance) P-C4' energy: -68.315 flat angles C4'-P-C4' energy: -77.741 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -26.208 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: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -406.877923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.877923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.877923 (E_RNA) where: Base-Base interactions energy: -142.727 where: short stacking energy: -108.880 Base-Backbone interact. energy: -0.516 local terms energy: -263.635873 where: bonds (distance) C4'-P energy: -74.510 bonds (distance) P-C4' energy: -90.075 flat angles C4'-P-C4' energy: -76.221 flat angles P-C4'-P energy: -22.920 tors. eta vs tors. theta energy: 0.091 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: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -392.620866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.620866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.620866 (E_RNA) where: Base-Base interactions energy: -159.291 where: short stacking energy: -106.449 Base-Backbone interact. energy: -1.859 local terms energy: -231.471676 where: bonds (distance) C4'-P energy: -60.557 bonds (distance) P-C4' energy: -77.307 flat angles C4'-P-C4' energy: -76.622 flat angles P-C4'-P energy: -36.563 tors. eta vs tors. theta energy: 19.578 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: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1436.038537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.038537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.038537 (E_RNA) where: Base-Base interactions energy: -947.140 where: short stacking energy: -440.401 Base-Backbone interact. energy: -0.529 local terms energy: -488.370045 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -100.845 flat angles C4'-P-C4' energy: -111.278 flat angles P-C4'-P energy: -66.648 tors. eta vs tors. theta energy: -119.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1286.424465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.424465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.424465 (E_RNA) where: Base-Base interactions energy: -835.075 where: short stacking energy: -405.096 Base-Backbone interact. energy: -3.332 local terms energy: -448.018220 where: bonds (distance) C4'-P energy: -83.602 bonds (distance) P-C4' energy: -95.507 flat angles C4'-P-C4' energy: -101.378 flat angles P-C4'-P energy: -64.129 tors. eta vs tors. theta energy: -103.401 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: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1076.190513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.190513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.190513 (E_RNA) where: Base-Base interactions energy: -624.677 where: short stacking energy: -327.934 Base-Backbone interact. energy: -2.141 local terms energy: -449.372142 where: bonds (distance) C4'-P energy: -92.782 bonds (distance) P-C4' energy: -88.394 flat angles C4'-P-C4' energy: -96.206 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -92.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1028.890341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.890341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.890341 (E_RNA) where: Base-Base interactions energy: -622.447 where: short stacking energy: -281.395 Base-Backbone interact. energy: -0.335 local terms energy: -406.107458 where: bonds (distance) C4'-P energy: -91.179 bonds (distance) P-C4' energy: -93.874 flat angles C4'-P-C4' energy: -92.326 flat angles P-C4'-P energy: -58.975 tors. eta vs tors. theta energy: -69.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -913.764244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.764244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.764244 (E_RNA) where: Base-Base interactions energy: -554.675 where: short stacking energy: -280.052 Base-Backbone interact. energy: 1.210 local terms energy: -360.299563 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -91.103 flat angles P-C4'-P energy: -46.106 tors. eta vs tors. theta energy: -55.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -825.474469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.474469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.474469 (E_RNA) where: Base-Base interactions energy: -449.757 where: short stacking energy: -245.224 Base-Backbone interact. energy: -1.695 local terms energy: -374.022181 where: bonds (distance) C4'-P energy: -96.984 bonds (distance) P-C4' energy: -75.386 flat angles C4'-P-C4' energy: -96.935 flat angles P-C4'-P energy: -62.574 tors. eta vs tors. theta energy: -42.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -711.503110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.503110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.503110 (E_RNA) where: Base-Base interactions energy: -402.234 where: short stacking energy: -230.279 Base-Backbone interact. energy: -3.460 local terms energy: -305.808520 where: bonds (distance) C4'-P energy: -83.431 bonds (distance) P-C4' energy: -72.329 flat angles C4'-P-C4' energy: -81.624 flat angles P-C4'-P energy: -41.359 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: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -625.914151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.914151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.914151 (E_RNA) where: Base-Base interactions energy: -328.669 where: short stacking energy: -181.467 Base-Backbone interact. energy: -0.409 local terms energy: -296.836370 where: bonds (distance) C4'-P energy: -79.929 bonds (distance) P-C4' energy: -90.665 flat angles C4'-P-C4' energy: -74.198 flat angles P-C4'-P energy: -28.304 tors. eta vs tors. theta energy: -23.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -410.436141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.436141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.436141 (E_RNA) where: Base-Base interactions energy: -153.429 where: short stacking energy: -127.271 Base-Backbone interact. energy: -0.492 local terms energy: -256.514487 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -75.329 flat angles C4'-P-C4' energy: -63.377 flat angles P-C4'-P energy: -52.566 tors. eta vs tors. theta energy: 2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -372.043661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.043661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.043661 (E_RNA) where: Base-Base interactions energy: -110.520 where: short stacking energy: -104.404 Base-Backbone interact. energy: 1.602 local terms energy: -263.125936 where: bonds (distance) C4'-P energy: -74.493 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -57.879 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1430.519103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.519103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.519103 (E_RNA) where: Base-Base interactions energy: -947.138 where: short stacking energy: -413.611 Base-Backbone interact. energy: -6.197 local terms energy: -477.184615 where: bonds (distance) C4'-P energy: -90.383 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -90.502 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -123.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1239.270232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.270232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.270232 (E_RNA) where: Base-Base interactions energy: -792.988 where: short stacking energy: -369.046 Base-Backbone interact. energy: -0.878 local terms energy: -445.404282 where: bonds (distance) C4'-P energy: -89.110 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -72.063 tors. eta vs tors. theta energy: -85.773 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: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1101.316897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.316897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.316897 (E_RNA) where: Base-Base interactions energy: -676.850 where: short stacking energy: -345.211 Base-Backbone interact. energy: -0.206 local terms energy: -424.261642 where: bonds (distance) C4'-P energy: -83.570 bonds (distance) P-C4' energy: -104.118 flat angles C4'-P-C4' energy: -95.161 flat angles P-C4'-P energy: -60.274 tors. eta vs tors. theta energy: -81.139 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: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1033.791861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.791861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.791861 (E_RNA) where: Base-Base interactions energy: -631.373 where: short stacking energy: -319.031 Base-Backbone interact. energy: -4.713 local terms energy: -397.706094 where: bonds (distance) C4'-P energy: -86.625 bonds (distance) P-C4' energy: -90.801 flat angles C4'-P-C4' energy: -79.515 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: -81.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -927.810985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.810985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.810985 (E_RNA) where: Base-Base interactions energy: -560.441 where: short stacking energy: -286.089 Base-Backbone interact. energy: 4.430 local terms energy: -371.799768 where: bonds (distance) C4'-P energy: -90.128 bonds (distance) P-C4' energy: -79.338 flat angles C4'-P-C4' energy: -89.778 flat angles P-C4'-P energy: -61.383 tors. eta vs tors. theta energy: -51.173 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: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -731.559436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.559436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.559436 (E_RNA) where: Base-Base interactions energy: -390.974 where: short stacking energy: -219.602 Base-Backbone interact. energy: 1.573 local terms energy: -342.158668 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -91.688 flat angles C4'-P-C4' energy: -87.497 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -48.185 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: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -682.955459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.955459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.955459 (E_RNA) where: Base-Base interactions energy: -379.964 where: short stacking energy: -213.954 Base-Backbone interact. energy: -0.375 local terms energy: -302.616607 where: bonds (distance) C4'-P energy: -80.424 bonds (distance) P-C4' energy: -76.808 flat angles C4'-P-C4' energy: -88.653 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -26.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -571.321640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.321640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.321640 (E_RNA) where: Base-Base interactions energy: -280.553 where: short stacking energy: -177.518 Base-Backbone interact. energy: 3.622 local terms energy: -294.391027 where: bonds (distance) C4'-P energy: -83.900 bonds (distance) P-C4' energy: -77.617 flat angles C4'-P-C4' energy: -62.521 flat angles P-C4'-P energy: -62.904 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: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -422.373208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.373208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.373208 (E_RNA) where: Base-Base interactions energy: -165.533 where: short stacking energy: -130.313 Base-Backbone interact. energy: -2.107 local terms energy: -254.733065 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -71.446 flat angles C4'-P-C4' energy: -74.324 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: 0.251 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: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -386.528924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.528924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.528924 (E_RNA) where: Base-Base interactions energy: -115.961 where: short stacking energy: -104.097 Base-Backbone interact. energy: -0.509 local terms energy: -270.058691 where: bonds (distance) C4'-P energy: -75.255 bonds (distance) P-C4' energy: -83.616 flat angles C4'-P-C4' energy: -74.342 flat angles P-C4'-P energy: -41.817 tors. eta vs tors. theta energy: 4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1407.977658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.977658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.977658 (E_RNA) where: Base-Base interactions energy: -919.117 where: short stacking energy: -409.543 Base-Backbone interact. energy: -2.130 local terms energy: -486.730898 where: bonds (distance) C4'-P energy: -95.839 bonds (distance) P-C4' energy: -98.281 flat angles C4'-P-C4' energy: -96.185 flat angles P-C4'-P energy: -76.741 tors. eta vs tors. theta energy: -119.685 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: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1284.714122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.714122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.714122 (E_RNA) where: Base-Base interactions energy: -820.338 where: short stacking energy: -377.803 Base-Backbone interact. energy: -1.232 local terms energy: -463.144108 where: bonds (distance) C4'-P energy: -90.921 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -100.344 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -100.813 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: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1105.682184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.682184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.682184 (E_RNA) where: Base-Base interactions energy: -674.081 where: short stacking energy: -326.878 Base-Backbone interact. energy: 0.056 local terms energy: -431.657483 where: bonds (distance) C4'-P energy: -99.156 bonds (distance) P-C4' energy: -98.735 flat angles C4'-P-C4' energy: -84.261 flat angles P-C4'-P energy: -60.181 tors. eta vs tors. theta energy: -89.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1030.202497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.202497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.202497 (E_RNA) where: Base-Base interactions energy: -634.042 where: short stacking energy: -296.618 Base-Backbone interact. energy: -3.846 local terms energy: -392.315032 where: bonds (distance) C4'-P energy: -90.743 bonds (distance) P-C4' energy: -80.817 flat angles C4'-P-C4' energy: -97.285 flat angles P-C4'-P energy: -54.458 tors. eta vs tors. theta energy: -69.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -959.022612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.022612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.022612 (E_RNA) where: Base-Base interactions energy: -600.726 where: short stacking energy: -277.565 Base-Backbone interact. energy: -0.252 local terms energy: -358.044662 where: bonds (distance) C4'-P energy: -81.456 bonds (distance) P-C4' energy: -91.579 flat angles C4'-P-C4' energy: -69.026 flat angles P-C4'-P energy: -58.546 tors. eta vs tors. theta energy: -57.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -742.751558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.751558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.751558 (E_RNA) where: Base-Base interactions energy: -420.004 where: short stacking energy: -248.940 Base-Backbone interact. energy: 3.318 local terms energy: -326.065528 where: bonds (distance) C4'-P energy: -77.424 bonds (distance) P-C4' energy: -89.741 flat angles C4'-P-C4' energy: -83.110 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -32.331 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: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -673.801174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.801174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.801174 (E_RNA) where: Base-Base interactions energy: -365.521 where: short stacking energy: -194.948 Base-Backbone interact. energy: -0.753 local terms energy: -307.527115 where: bonds (distance) C4'-P energy: -85.299 bonds (distance) P-C4' energy: -75.198 flat angles C4'-P-C4' energy: -85.770 flat angles P-C4'-P energy: -48.652 tors. eta vs tors. theta energy: -12.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -582.070861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.070861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.070861 (E_RNA) where: Base-Base interactions energy: -300.030 where: short stacking energy: -164.960 Base-Backbone interact. energy: 2.805 local terms energy: -284.845469 where: bonds (distance) C4'-P energy: -74.634 bonds (distance) P-C4' energy: -82.812 flat angles C4'-P-C4' energy: -81.700 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -413.155164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.155164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.155164 (E_RNA) where: Base-Base interactions energy: -165.020 where: short stacking energy: -106.133 Base-Backbone interact. energy: 0.270 local terms energy: -248.405127 where: bonds (distance) C4'-P energy: -81.443 bonds (distance) P-C4' energy: -82.098 flat angles C4'-P-C4' energy: -80.726 flat angles P-C4'-P energy: -32.965 tors. eta vs tors. theta energy: 28.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -416.132466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.132466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.132466 (E_RNA) where: Base-Base interactions energy: -168.570 where: short stacking energy: -106.550 Base-Backbone interact. energy: -3.429 local terms energy: -244.133946 where: bonds (distance) C4'-P energy: -66.359 bonds (distance) P-C4' energy: -82.543 flat angles C4'-P-C4' energy: -42.556 flat angles P-C4'-P energy: -59.104 tors. eta vs tors. theta energy: 6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1457.688959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.688959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.688959 (E_RNA) where: Base-Base interactions energy: -956.924 where: short stacking energy: -417.948 Base-Backbone interact. energy: -6.432 local terms energy: -494.332854 where: bonds (distance) C4'-P energy: -98.526 bonds (distance) P-C4' energy: -99.440 flat angles C4'-P-C4' energy: -104.664 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: -124.327 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: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1277.451133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.451133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.451133 (E_RNA) where: Base-Base interactions energy: -809.539 where: short stacking energy: -402.300 Base-Backbone interact. energy: -2.607 local terms energy: -465.304279 where: bonds (distance) C4'-P energy: -92.252 bonds (distance) P-C4' energy: -90.783 flat angles C4'-P-C4' energy: -95.027 flat angles P-C4'-P energy: -71.486 tors. eta vs tors. theta energy: -115.756 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: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1086.248632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.248632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.248632 (E_RNA) where: Base-Base interactions energy: -680.076 where: short stacking energy: -348.923 Base-Backbone interact. energy: -1.273 local terms energy: -404.898867 where: bonds (distance) C4'-P energy: -79.054 bonds (distance) P-C4' energy: -89.679 flat angles C4'-P-C4' energy: -103.727 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -77.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1065.050409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.050409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.050409 (E_RNA) where: Base-Base interactions energy: -662.741 where: short stacking energy: -307.917 Base-Backbone interact. energy: -1.206 local terms energy: -401.103575 where: bonds (distance) C4'-P energy: -90.804 bonds (distance) P-C4' energy: -85.907 flat angles C4'-P-C4' energy: -100.743 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -69.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -957.658785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.658785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.658785 (E_RNA) where: Base-Base interactions energy: -583.890 where: short stacking energy: -296.966 Base-Backbone interact. energy: 2.369 local terms energy: -376.137666 where: bonds (distance) C4'-P energy: -80.012 bonds (distance) P-C4' energy: -81.004 flat angles C4'-P-C4' energy: -95.353 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -69.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -792.154252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.154252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.154252 (E_RNA) where: Base-Base interactions energy: -439.041 where: short stacking energy: -248.426 Base-Backbone interact. energy: -0.670 local terms energy: -352.443604 where: bonds (distance) C4'-P energy: -91.003 bonds (distance) P-C4' energy: -80.349 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -59.855 tors. eta vs tors. theta energy: -44.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -715.409713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.409713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.409713 (E_RNA) where: Base-Base interactions energy: -395.907 where: short stacking energy: -218.730 Base-Backbone interact. energy: 0.470 local terms energy: -319.972263 where: bonds (distance) C4'-P energy: -81.557 bonds (distance) P-C4' energy: -82.190 flat angles C4'-P-C4' energy: -84.973 flat angles P-C4'-P energy: -31.063 tors. eta vs tors. theta energy: -40.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -581.072942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.072942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.072942 (E_RNA) where: Base-Base interactions energy: -313.517 where: short stacking energy: -175.473 Base-Backbone interact. energy: -0.885 local terms energy: -266.671015 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -85.508 flat angles C4'-P-C4' energy: -60.846 flat angles P-C4'-P energy: -40.360 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -435.854640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.854640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.854640 (E_RNA) where: Base-Base interactions energy: -179.617 where: short stacking energy: -131.642 Base-Backbone interact. energy: 0.447 local terms energy: -256.684913 where: bonds (distance) C4'-P energy: -81.741 bonds (distance) P-C4' energy: -80.706 flat angles C4'-P-C4' energy: -72.433 flat angles P-C4'-P energy: -28.054 tors. eta vs tors. theta energy: 6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -400.115588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.115588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.115588 (E_RNA) where: Base-Base interactions energy: -132.366 where: short stacking energy: -112.409 Base-Backbone interact. energy: 4.096 local terms energy: -271.845504 where: bonds (distance) C4'-P energy: -97.578 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -83.037 flat angles P-C4'-P energy: -29.458 tors. eta vs tors. theta energy: 12.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1432.740564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.740564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.740564 (E_RNA) where: Base-Base interactions energy: -969.124 where: short stacking energy: -433.950 Base-Backbone interact. energy: -2.382 local terms energy: -461.234868 where: bonds (distance) C4'-P energy: -90.787 bonds (distance) P-C4' energy: -95.522 flat angles C4'-P-C4' energy: -89.898 flat angles P-C4'-P energy: -54.917 tors. eta vs tors. theta energy: -130.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1280.267016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.267016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.267016 (E_RNA) where: Base-Base interactions energy: -809.717 where: short stacking energy: -413.846 Base-Backbone interact. energy: -2.300 local terms energy: -468.250458 where: bonds (distance) C4'-P energy: -93.692 bonds (distance) P-C4' energy: -85.275 flat angles C4'-P-C4' energy: -107.576 flat angles P-C4'-P energy: -67.741 tors. eta vs tors. theta energy: -113.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1119.260498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.260498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.260498 (E_RNA) where: Base-Base interactions energy: -684.645 where: short stacking energy: -340.580 Base-Backbone interact. energy: -1.434 local terms energy: -433.181336 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -82.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1058.706105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.706105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.706105 (E_RNA) where: Base-Base interactions energy: -643.798 where: short stacking energy: -309.968 Base-Backbone interact. energy: 1.495 local terms energy: -416.402982 where: bonds (distance) C4'-P energy: -77.268 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -98.374 flat angles P-C4'-P energy: -62.248 tors. eta vs tors. theta energy: -82.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -997.254683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.254683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.254683 (E_RNA) where: Base-Base interactions energy: -621.790 where: short stacking energy: -318.047 Base-Backbone interact. energy: -0.929 local terms energy: -374.536330 where: bonds (distance) C4'-P energy: -73.484 bonds (distance) P-C4' energy: -90.631 flat angles C4'-P-C4' energy: -81.415 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -69.058 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: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -817.461848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.461848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.461848 (E_RNA) where: Base-Base interactions energy: -464.008 where: short stacking energy: -245.955 Base-Backbone interact. energy: -2.294 local terms energy: -351.160161 where: bonds (distance) C4'-P energy: -90.911 bonds (distance) P-C4' energy: -89.250 flat angles C4'-P-C4' energy: -85.690 flat angles P-C4'-P energy: -41.498 tors. eta vs tors. theta energy: -43.811 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: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -698.991693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.991693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.991693 (E_RNA) where: Base-Base interactions energy: -398.032 where: short stacking energy: -228.568 Base-Backbone interact. energy: 2.048 local terms energy: -303.007481 where: bonds (distance) C4'-P energy: -77.495 bonds (distance) P-C4' energy: -93.449 flat angles C4'-P-C4' energy: -74.725 flat angles P-C4'-P energy: -35.128 tors. eta vs tors. theta energy: -22.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -573.035857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.035857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.035857 (E_RNA) where: Base-Base interactions energy: -275.666 where: short stacking energy: -177.479 Base-Backbone interact. energy: -0.919 local terms energy: -296.451233 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -92.610 flat angles C4'-P-C4' energy: -74.471 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -17.193 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: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -452.689057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.689057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.689057 (E_RNA) where: Base-Base interactions energy: -169.961 where: short stacking energy: -122.968 Base-Backbone interact. energy: -0.501 local terms energy: -282.226505 where: bonds (distance) C4'-P energy: -81.768 bonds (distance) P-C4' energy: -91.533 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: 2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -381.291158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.291158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.291158 (E_RNA) where: Base-Base interactions energy: -139.857 where: short stacking energy: -104.924 Base-Backbone interact. energy: 1.286 local terms energy: -242.720944 where: bonds (distance) C4'-P energy: -79.370 bonds (distance) P-C4' energy: -63.498 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -38.973 tors. eta vs tors. theta energy: 13.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1433.592488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.592488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.592488 (E_RNA) where: Base-Base interactions energy: -938.418 where: short stacking energy: -451.599 Base-Backbone interact. energy: -3.588 local terms energy: -491.586601 where: bonds (distance) C4'-P energy: -100.164 bonds (distance) P-C4' energy: -81.570 flat angles C4'-P-C4' energy: -104.585 flat angles P-C4'-P energy: -76.065 tors. eta vs tors. theta energy: -129.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1278.237455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.237455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.237455 (E_RNA) where: Base-Base interactions energy: -808.900 where: short stacking energy: -407.951 Base-Backbone interact. energy: -1.707 local terms energy: -467.630746 where: bonds (distance) C4'-P energy: -88.567 bonds (distance) P-C4' energy: -90.982 flat angles C4'-P-C4' energy: -108.973 flat angles P-C4'-P energy: -65.305 tors. eta vs tors. theta energy: -113.804 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: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1130.362990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.362990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.362990 (E_RNA) where: Base-Base interactions energy: -693.606 where: short stacking energy: -344.331 Base-Backbone interact. energy: -1.354 local terms energy: -435.402959 where: bonds (distance) C4'-P energy: -102.155 bonds (distance) P-C4' energy: -88.921 flat angles C4'-P-C4' energy: -97.479 flat angles P-C4'-P energy: -65.629 tors. eta vs tors. theta energy: -81.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1068.990925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.990925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.990925 (E_RNA) where: Base-Base interactions energy: -658.536 where: short stacking energy: -328.637 Base-Backbone interact. energy: -2.365 local terms energy: -408.090277 where: bonds (distance) C4'-P energy: -87.418 bonds (distance) P-C4' energy: -78.527 flat angles C4'-P-C4' energy: -90.523 flat angles P-C4'-P energy: -61.389 tors. eta vs tors. theta energy: -90.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1008.532686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.532686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.532686 (E_RNA) where: Base-Base interactions energy: -618.362 where: short stacking energy: -305.012 Base-Backbone interact. energy: -1.854 local terms energy: -388.317234 where: bonds (distance) C4'-P energy: -89.940 bonds (distance) P-C4' energy: -91.469 flat angles C4'-P-C4' energy: -92.313 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -60.620 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: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -772.759855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.759855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.759855 (E_RNA) where: Base-Base interactions energy: -426.869 where: short stacking energy: -219.276 Base-Backbone interact. energy: -0.743 local terms energy: -345.148298 where: bonds (distance) C4'-P energy: -81.279 bonds (distance) P-C4' energy: -83.762 flat angles C4'-P-C4' energy: -94.321 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -39.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -749.525517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.525517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.525517 (E_RNA) where: Base-Base interactions energy: -403.425 where: short stacking energy: -202.044 Base-Backbone interact. energy: -1.725 local terms energy: -344.375328 where: bonds (distance) C4'-P energy: -84.280 bonds (distance) P-C4' energy: -100.284 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -19.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -561.678660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.678660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.678660 (E_RNA) where: Base-Base interactions energy: -267.539 where: short stacking energy: -163.137 Base-Backbone interact. energy: 1.270 local terms energy: -295.410402 where: bonds (distance) C4'-P energy: -86.224 bonds (distance) P-C4' energy: -93.556 flat angles C4'-P-C4' energy: -61.597 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -8.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -592.585092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.585092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.585092 (E_RNA) where: Base-Base interactions energy: -300.295 where: short stacking energy: -165.710 Base-Backbone interact. energy: 1.358 local terms energy: -293.648306 where: bonds (distance) C4'-P energy: -80.677 bonds (distance) P-C4' energy: -77.713 flat angles C4'-P-C4' energy: -75.727 flat angles P-C4'-P energy: -39.340 tors. eta vs tors. theta energy: -20.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -377.980323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.980323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.980323 (E_RNA) where: Base-Base interactions energy: -141.910 where: short stacking energy: -122.534 Base-Backbone interact. energy: 4.745 local terms energy: -240.815396 where: bonds (distance) C4'-P energy: -78.400 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -72.371 flat angles P-C4'-P energy: -42.291 tors. eta vs tors. theta energy: 28.848 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: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1430.190813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.190813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.190813 (E_RNA) where: Base-Base interactions energy: -940.197 where: short stacking energy: -438.284 Base-Backbone interact. energy: -1.023 local terms energy: -488.970729 where: bonds (distance) C4'-P energy: -83.445 bonds (distance) P-C4' energy: -104.035 flat angles C4'-P-C4' energy: -104.629 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: -132.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1276.124917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.124917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.124917 (E_RNA) where: Base-Base interactions energy: -796.112 where: short stacking energy: -396.178 Base-Backbone interact. energy: -4.836 local terms energy: -475.176224 where: bonds (distance) C4'-P energy: -98.874 bonds (distance) P-C4' energy: -98.347 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: -117.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1149.591044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.591044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.591044 (E_RNA) where: Base-Base interactions energy: -677.211 where: short stacking energy: -352.009 Base-Backbone interact. energy: -1.839 local terms energy: -470.540899 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -104.586 flat angles C4'-P-C4' energy: -97.928 flat angles P-C4'-P energy: -71.727 tors. eta vs tors. theta energy: -98.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1041.374448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.374448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.374448 (E_RNA) where: Base-Base interactions energy: -649.259 where: short stacking energy: -330.157 Base-Backbone interact. energy: -0.010 local terms energy: -392.105813 where: bonds (distance) C4'-P energy: -82.557 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -60.942 tors. eta vs tors. theta energy: -70.157 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: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1008.133921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.133921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.133921 (E_RNA) where: Base-Base interactions energy: -608.889 where: short stacking energy: -307.507 Base-Backbone interact. energy: 2.742 local terms energy: -401.986648 where: bonds (distance) C4'-P energy: -84.793 bonds (distance) P-C4' energy: -95.167 flat angles C4'-P-C4' energy: -86.267 flat angles P-C4'-P energy: -63.891 tors. eta vs tors. theta energy: -71.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -782.179384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.179384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.179384 (E_RNA) where: Base-Base interactions energy: -431.274 where: short stacking energy: -219.421 Base-Backbone interact. energy: 0.398 local terms energy: -351.303999 where: bonds (distance) C4'-P energy: -95.249 bonds (distance) P-C4' energy: -89.753 flat angles C4'-P-C4' energy: -73.078 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -39.582 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: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -719.700031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.700031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.700031 (E_RNA) where: Base-Base interactions energy: -410.966 where: short stacking energy: -219.203 Base-Backbone interact. energy: 3.554 local terms energy: -312.287871 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -90.483 flat angles C4'-P-C4' energy: -80.430 flat angles P-C4'-P energy: -44.655 tors. eta vs tors. theta energy: -28.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -664.116726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.116726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.116726 (E_RNA) where: Base-Base interactions energy: -348.082 where: short stacking energy: -188.981 Base-Backbone interact. energy: -2.040 local terms energy: -313.994038 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -83.578 flat angles C4'-P-C4' energy: -92.026 flat angles P-C4'-P energy: -44.722 tors. eta vs tors. theta energy: -18.209 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -530.117143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.117143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.117143 (E_RNA) where: Base-Base interactions energy: -239.809 where: short stacking energy: -148.989 Base-Backbone interact. energy: -2.137 local terms energy: -288.170782 where: bonds (distance) C4'-P energy: -80.146 bonds (distance) P-C4' energy: -85.675 flat angles C4'-P-C4' energy: -72.734 flat angles P-C4'-P energy: -52.050 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: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -371.519608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.519608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.519608 (E_RNA) where: Base-Base interactions energy: -116.378 where: short stacking energy: -116.693 Base-Backbone interact. energy: -1.641 local terms energy: -253.500642 where: bonds (distance) C4'-P energy: -66.950 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: 9.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1425.685671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.685671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.685671 (E_RNA) where: Base-Base interactions energy: -958.070 where: short stacking energy: -442.938 Base-Backbone interact. energy: -0.812 local terms energy: -466.803103 where: bonds (distance) C4'-P energy: -84.654 bonds (distance) P-C4' energy: -83.002 flat angles C4'-P-C4' energy: -101.316 flat angles P-C4'-P energy: -65.157 tors. eta vs tors. theta energy: -132.674 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: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1317.987485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.987485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.987485 (E_RNA) where: Base-Base interactions energy: -853.564 where: short stacking energy: -397.425 Base-Backbone interact. energy: -2.245 local terms energy: -462.178862 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -100.797 flat angles C4'-P-C4' energy: -96.001 flat angles P-C4'-P energy: -77.529 tors. eta vs tors. theta energy: -105.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1168.585610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.585610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.585610 (E_RNA) where: Base-Base interactions energy: -710.157 where: short stacking energy: -352.478 Base-Backbone interact. energy: -1.056 local terms energy: -457.372439 where: bonds (distance) C4'-P energy: -104.498 bonds (distance) P-C4' energy: -97.623 flat angles C4'-P-C4' energy: -92.600 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -87.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1053.789081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.789081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.789081 (E_RNA) where: Base-Base interactions energy: -647.187 where: short stacking energy: -332.590 Base-Backbone interact. energy: 0.713 local terms energy: -407.315372 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -96.318 flat angles C4'-P-C4' energy: -98.311 flat angles P-C4'-P energy: -61.481 tors. eta vs tors. theta energy: -71.781 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: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1026.361384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.361384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.361384 (E_RNA) where: Base-Base interactions energy: -613.043 where: short stacking energy: -321.585 Base-Backbone interact. energy: -1.541 local terms energy: -411.777699 where: bonds (distance) C4'-P energy: -82.199 bonds (distance) P-C4' energy: -87.354 flat angles C4'-P-C4' energy: -93.449 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -84.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -805.538811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.538811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.538811 (E_RNA) where: Base-Base interactions energy: -439.698 where: short stacking energy: -218.508 Base-Backbone interact. energy: -0.714 local terms energy: -365.126669 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -99.537 flat angles C4'-P-C4' energy: -83.344 flat angles P-C4'-P energy: -54.119 tors. eta vs tors. theta energy: -41.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -748.854209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.854209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.854209 (E_RNA) where: Base-Base interactions energy: -431.929 where: short stacking energy: -221.534 Base-Backbone interact. energy: 0.344 local terms energy: -317.268851 where: bonds (distance) C4'-P energy: -76.953 bonds (distance) P-C4' energy: -83.012 flat angles C4'-P-C4' energy: -73.977 flat angles P-C4'-P energy: -56.768 tors. eta vs tors. theta energy: -26.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -675.020089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.020089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.020089 (E_RNA) where: Base-Base interactions energy: -346.765 where: short stacking energy: -183.230 Base-Backbone interact. energy: 0.691 local terms energy: -328.945969 where: bonds (distance) C4'-P energy: -93.484 bonds (distance) P-C4' energy: -67.999 flat angles C4'-P-C4' energy: -79.458 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -32.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -524.533877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.533877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.533877 (E_RNA) where: Base-Base interactions energy: -270.363 where: short stacking energy: -140.763 Base-Backbone interact. energy: 2.250 local terms energy: -256.421388 where: bonds (distance) C4'-P energy: -71.489 bonds (distance) P-C4' energy: -80.221 flat angles C4'-P-C4' energy: -74.776 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: 10.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -396.489838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.489838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.489838 (E_RNA) where: Base-Base interactions energy: -123.446 where: short stacking energy: -115.250 Base-Backbone interact. energy: 2.542 local terms energy: -275.585968 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -93.794 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: 9.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1420.855111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.855111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.855111 (E_RNA) where: Base-Base interactions energy: -936.298 where: short stacking energy: -445.680 Base-Backbone interact. energy: -2.246 local terms energy: -482.310815 where: bonds (distance) C4'-P energy: -99.706 bonds (distance) P-C4' energy: -85.838 flat angles C4'-P-C4' energy: -107.926 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -123.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1315.080324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.080324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.080324 (E_RNA) where: Base-Base interactions energy: -855.077 where: short stacking energy: -432.519 Base-Backbone interact. energy: 0.148 local terms energy: -460.151775 where: bonds (distance) C4'-P energy: -91.849 bonds (distance) P-C4' energy: -88.382 flat angles C4'-P-C4' energy: -101.504 flat angles P-C4'-P energy: -61.096 tors. eta vs tors. theta energy: -117.321 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: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1169.546648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.546648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.546648 (E_RNA) where: Base-Base interactions energy: -712.760 where: short stacking energy: -353.622 Base-Backbone interact. energy: -2.218 local terms energy: -454.568779 where: bonds (distance) C4'-P energy: -99.354 bonds (distance) P-C4' energy: -98.611 flat angles C4'-P-C4' energy: -103.607 flat angles P-C4'-P energy: -59.017 tors. eta vs tors. theta energy: -93.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1027.040243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.040243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.040243 (E_RNA) where: Base-Base interactions energy: -614.846 where: short stacking energy: -318.667 Base-Backbone interact. energy: -1.638 local terms energy: -410.556178 where: bonds (distance) C4'-P energy: -76.592 bonds (distance) P-C4' energy: -91.308 flat angles C4'-P-C4' energy: -97.775 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -72.634 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: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1016.656449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.656449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.656449 (E_RNA) where: Base-Base interactions energy: -650.404 where: short stacking energy: -329.752 Base-Backbone interact. energy: -3.117 local terms energy: -363.136206 where: bonds (distance) C4'-P energy: -74.139 bonds (distance) P-C4' energy: -87.485 flat angles C4'-P-C4' energy: -81.555 flat angles P-C4'-P energy: -56.384 tors. eta vs tors. theta energy: -63.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -777.816367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.816367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.816367 (E_RNA) where: Base-Base interactions energy: -432.983 where: short stacking energy: -230.401 Base-Backbone interact. energy: 2.090 local terms energy: -346.924168 where: bonds (distance) C4'-P energy: -82.570 bonds (distance) P-C4' energy: -83.764 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -41.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -722.468787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.468787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.468787 (E_RNA) where: Base-Base interactions energy: -395.323 where: short stacking energy: -231.841 Base-Backbone interact. energy: -2.707 local terms energy: -324.438884 where: bonds (distance) C4'-P energy: -81.198 bonds (distance) P-C4' energy: -76.916 flat angles C4'-P-C4' energy: -83.090 flat angles P-C4'-P energy: -44.282 tors. eta vs tors. theta energy: -38.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -579.101991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.101991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.101991 (E_RNA) where: Base-Base interactions energy: -280.978 where: short stacking energy: -169.007 Base-Backbone interact. energy: -0.553 local terms energy: -297.570697 where: bonds (distance) C4'-P energy: -76.400 bonds (distance) P-C4' energy: -79.574 flat angles C4'-P-C4' energy: -75.436 flat angles P-C4'-P energy: -48.778 tors. eta vs tors. theta energy: -17.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -584.366042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.366042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.366042 (E_RNA) where: Base-Base interactions energy: -309.973 where: short stacking energy: -189.627 Base-Backbone interact. energy: 3.717 local terms energy: -278.110090 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -78.818 flat angles C4'-P-C4' energy: -64.220 flat angles P-C4'-P energy: -49.373 tors. eta vs tors. theta energy: -27.719 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: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -406.933533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.933533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.933533 (E_RNA) where: Base-Base interactions energy: -159.565 where: short stacking energy: -120.157 Base-Backbone interact. energy: -1.203 local terms energy: -246.165173 where: bonds (distance) C4'-P energy: -66.746 bonds (distance) P-C4' energy: -81.405 flat angles C4'-P-C4' energy: -67.045 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: 8.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1437.961957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.961957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.961957 (E_RNA) where: Base-Base interactions energy: -925.266 where: short stacking energy: -424.802 Base-Backbone interact. energy: 1.184 local terms energy: -513.880394 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -98.069 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -127.277 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: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1342.508859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.508859 (E_RNA) where: Base-Base interactions energy: -861.593 where: short stacking energy: -405.046 Base-Backbone interact. energy: -1.966 local terms energy: -478.950537 where: bonds (distance) C4'-P energy: -95.094 bonds (distance) P-C4' energy: -91.465 flat angles C4'-P-C4' energy: -104.260 flat angles P-C4'-P energy: -67.919 tors. eta vs tors. theta energy: -120.213 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1163.369743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.369743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.369743 (E_RNA) where: Base-Base interactions energy: -724.828 where: short stacking energy: -348.705 Base-Backbone interact. energy: -1.501 local terms energy: -437.041186 where: bonds (distance) C4'-P energy: -75.076 bonds (distance) P-C4' energy: -102.119 flat angles C4'-P-C4' energy: -101.742 flat angles P-C4'-P energy: -68.277 tors. eta vs tors. theta energy: -89.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1032.640282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.640282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.640282 (E_RNA) where: Base-Base interactions energy: -654.648 where: short stacking energy: -311.864 Base-Backbone interact. energy: 0.384 local terms energy: -378.376739 where: bonds (distance) C4'-P energy: -74.009 bonds (distance) P-C4' energy: -87.758 flat angles C4'-P-C4' energy: -92.967 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -71.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1022.583044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.583044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.583044 (E_RNA) where: Base-Base interactions energy: -651.947 where: short stacking energy: -285.755 Base-Backbone interact. energy: 2.638 local terms energy: -373.274652 where: bonds (distance) C4'-P energy: -88.580 bonds (distance) P-C4' energy: -88.070 flat angles C4'-P-C4' energy: -90.979 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -57.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -779.713813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.713813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.713813 (E_RNA) where: Base-Base interactions energy: -444.614 where: short stacking energy: -240.701 Base-Backbone interact. energy: -0.571 local terms energy: -334.528308 where: bonds (distance) C4'-P energy: -79.718 bonds (distance) P-C4' energy: -78.000 flat angles C4'-P-C4' energy: -96.877 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -37.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -657.719460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.719460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.719460 (E_RNA) where: Base-Base interactions energy: -333.498 where: short stacking energy: -177.383 Base-Backbone interact. energy: 1.259 local terms energy: -325.480572 where: bonds (distance) C4'-P energy: -87.968 bonds (distance) P-C4' energy: -86.028 flat angles C4'-P-C4' energy: -89.707 flat angles P-C4'-P energy: -50.783 tors. eta vs tors. theta energy: -10.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -571.849646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.849646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.849646 (E_RNA) where: Base-Base interactions energy: -283.815 where: short stacking energy: -165.660 Base-Backbone interact. energy: 0.245 local terms energy: -288.278960 where: bonds (distance) C4'-P energy: -69.724 bonds (distance) P-C4' energy: -86.195 flat angles C4'-P-C4' energy: -79.972 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -11.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -580.776564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.776564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.776564 (E_RNA) where: Base-Base interactions energy: -300.530 where: short stacking energy: -155.194 Base-Backbone interact. energy: -1.399 local terms energy: -278.846993 where: bonds (distance) C4'-P energy: -71.140 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -71.713 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -12.239 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: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -379.918174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.918174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.918174 (E_RNA) where: Base-Base interactions energy: -119.250 where: short stacking energy: -104.055 Base-Backbone interact. energy: -1.542 local terms energy: -259.126247 where: bonds (distance) C4'-P energy: -60.555 bonds (distance) P-C4' energy: -84.837 flat angles C4'-P-C4' energy: -73.351 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: 7.351 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: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1440.033739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.033739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.033739 (E_RNA) where: Base-Base interactions energy: -957.558 where: short stacking energy: -443.834 Base-Backbone interact. energy: -2.206 local terms energy: -480.269922 where: bonds (distance) C4'-P energy: -82.827 bonds (distance) P-C4' energy: -86.848 flat angles C4'-P-C4' energy: -116.390 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -124.064 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: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1380.746305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.746305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.746305 (E_RNA) where: Base-Base interactions energy: -894.850 where: short stacking energy: -453.779 Base-Backbone interact. energy: -1.463 local terms energy: -484.433078 where: bonds (distance) C4'-P energy: -99.821 bonds (distance) P-C4' energy: -93.829 flat angles C4'-P-C4' energy: -100.636 flat angles P-C4'-P energy: -65.917 tors. eta vs tors. theta energy: -124.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1151.944201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.944201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.944201 (E_RNA) where: Base-Base interactions energy: -723.035 where: short stacking energy: -370.615 Base-Backbone interact. energy: 5.337 local terms energy: -434.246107 where: bonds (distance) C4'-P energy: -89.284 bonds (distance) P-C4' energy: -83.294 flat angles C4'-P-C4' energy: -102.143 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -93.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1067.219569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.219569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.219569 (E_RNA) where: Base-Base interactions energy: -645.997 where: short stacking energy: -303.881 Base-Backbone interact. energy: -1.562 local terms energy: -419.660129 where: bonds (distance) C4'-P energy: -87.188 bonds (distance) P-C4' energy: -87.378 flat angles C4'-P-C4' energy: -93.251 flat angles P-C4'-P energy: -68.841 tors. eta vs tors. theta energy: -83.002 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: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1027.014630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.014630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.014630 (E_RNA) where: Base-Base interactions energy: -654.536 where: short stacking energy: -307.258 Base-Backbone interact. energy: 0.021 local terms energy: -372.499088 where: bonds (distance) C4'-P energy: -93.457 bonds (distance) P-C4' energy: -84.992 flat angles C4'-P-C4' energy: -82.066 flat angles P-C4'-P energy: -52.567 tors. eta vs tors. theta energy: -59.417 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: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -782.493952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.493952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.493952 (E_RNA) where: Base-Base interactions energy: -443.171 where: short stacking energy: -242.702 Base-Backbone interact. energy: -1.797 local terms energy: -337.526217 where: bonds (distance) C4'-P energy: -93.582 bonds (distance) P-C4' energy: -91.350 flat angles C4'-P-C4' energy: -76.306 flat angles P-C4'-P energy: -57.181 tors. eta vs tors. theta energy: -19.107 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: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -650.150767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.150767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.150767 (E_RNA) where: Base-Base interactions energy: -349.085 where: short stacking energy: -179.501 Base-Backbone interact. energy: -3.754 local terms energy: -297.311564 where: bonds (distance) C4'-P energy: -77.513 bonds (distance) P-C4' energy: -83.362 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -48.590 tors. eta vs tors. theta energy: -20.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -593.518879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.518879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.518879 (E_RNA) where: Base-Base interactions energy: -290.122 where: short stacking energy: -181.222 Base-Backbone interact. energy: -2.661 local terms energy: -300.736804 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -95.979 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -48.978 tors. eta vs tors. theta energy: -17.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -575.714958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.714958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.714958 (E_RNA) where: Base-Base interactions energy: -294.073 where: short stacking energy: -180.042 Base-Backbone interact. energy: 2.306 local terms energy: -283.948281 where: bonds (distance) C4'-P energy: -79.226 bonds (distance) P-C4' energy: -85.943 flat angles C4'-P-C4' energy: -57.485 flat angles P-C4'-P energy: -50.034 tors. eta vs tors. theta energy: -11.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -375.591724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.591724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.591724 (E_RNA) where: Base-Base interactions energy: -132.376 where: short stacking energy: -118.477 Base-Backbone interact. energy: 1.069 local terms energy: -244.283941 where: bonds (distance) C4'-P energy: -66.316 bonds (distance) P-C4' energy: -78.244 flat angles C4'-P-C4' energy: -67.937 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: 18.720 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: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1429.397425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.397425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.397425 (E_RNA) where: Base-Base interactions energy: -947.914 where: short stacking energy: -438.579 Base-Backbone interact. energy: -1.746 local terms energy: -479.737246 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -94.463 flat angles C4'-P-C4' energy: -96.793 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: -131.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1350.496418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.496418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.496418 (E_RNA) where: Base-Base interactions energy: -862.778 where: short stacking energy: -420.333 Base-Backbone interact. energy: -2.863 local terms energy: -484.855282 where: bonds (distance) C4'-P energy: -94.816 bonds (distance) P-C4' energy: -89.930 flat angles C4'-P-C4' energy: -106.471 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: -123.404 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1105.447434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.447434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.447434 (E_RNA) where: Base-Base interactions energy: -691.682 where: short stacking energy: -330.568 Base-Backbone interact. energy: 2.984 local terms energy: -416.749375 where: bonds (distance) C4'-P energy: -96.351 bonds (distance) P-C4' energy: -97.578 flat angles C4'-P-C4' energy: -97.323 flat angles P-C4'-P energy: -54.330 tors. eta vs tors. theta energy: -71.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1119.576904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.576904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.576904 (E_RNA) where: Base-Base interactions energy: -706.122 where: short stacking energy: -346.258 Base-Backbone interact. energy: -0.859 local terms energy: -412.595749 where: bonds (distance) C4'-P energy: -75.435 bonds (distance) P-C4' energy: -88.749 flat angles C4'-P-C4' energy: -101.802 flat angles P-C4'-P energy: -60.431 tors. eta vs tors. theta energy: -86.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1010.255992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.255992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.255992 (E_RNA) where: Base-Base interactions energy: -622.344 where: short stacking energy: -294.588 Base-Backbone interact. energy: -2.148 local terms energy: -385.763838 where: bonds (distance) C4'-P energy: -90.896 bonds (distance) P-C4' energy: -86.081 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -53.081 tors. eta vs tors. theta energy: -71.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -825.849075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.849075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.849075 (E_RNA) where: Base-Base interactions energy: -508.596 where: short stacking energy: -240.969 Base-Backbone interact. energy: -2.422 local terms energy: -314.830863 where: bonds (distance) C4'-P energy: -79.661 bonds (distance) P-C4' energy: -77.007 flat angles C4'-P-C4' energy: -78.569 flat angles P-C4'-P energy: -49.070 tors. eta vs tors. theta energy: -30.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -654.593420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.593420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.593420 (E_RNA) where: Base-Base interactions energy: -343.629 where: short stacking energy: -181.609 Base-Backbone interact. energy: 0.179 local terms energy: -311.143493 where: bonds (distance) C4'-P energy: -91.162 bonds (distance) P-C4' energy: -87.861 flat angles C4'-P-C4' energy: -74.857 flat angles P-C4'-P energy: -46.158 tors. eta vs tors. theta energy: -11.106 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: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -613.168880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.168880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.168880 (E_RNA) where: Base-Base interactions energy: -298.133 where: short stacking energy: -178.267 Base-Backbone interact. energy: 3.029 local terms energy: -318.064623 where: bonds (distance) C4'-P energy: -81.778 bonds (distance) P-C4' energy: -83.477 flat angles C4'-P-C4' energy: -88.700 flat angles P-C4'-P energy: -57.207 tors. eta vs tors. theta energy: -6.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -574.950171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.950171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.950171 (E_RNA) where: Base-Base interactions energy: -288.981 where: short stacking energy: -164.814 Base-Backbone interact. energy: -0.691 local terms energy: -285.278157 where: bonds (distance) C4'-P energy: -87.057 bonds (distance) P-C4' energy: -82.892 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -1.740 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: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -372.153017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.153017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.153017 (E_RNA) where: Base-Base interactions energy: -136.360 where: short stacking energy: -95.909 Base-Backbone interact. energy: 6.920 local terms energy: -242.713775 where: bonds (distance) C4'-P energy: -92.921 bonds (distance) P-C4' energy: -78.823 flat angles C4'-P-C4' energy: -49.495 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: 17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1437.528374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.528374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.528374 (E_RNA) where: Base-Base interactions energy: -943.789 where: short stacking energy: -425.170 Base-Backbone interact. energy: -1.344 local terms energy: -492.395816 where: bonds (distance) C4'-P energy: -84.942 bonds (distance) P-C4' energy: -100.457 flat angles C4'-P-C4' energy: -113.216 flat angles P-C4'-P energy: -68.561 tors. eta vs tors. theta energy: -125.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1347.319861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.319861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.319861 (E_RNA) where: Base-Base interactions energy: -874.043 where: short stacking energy: -449.281 Base-Backbone interact. energy: -3.044 local terms energy: -470.233096 where: bonds (distance) C4'-P energy: -89.371 bonds (distance) P-C4' energy: -87.093 flat angles C4'-P-C4' energy: -95.607 flat angles P-C4'-P energy: -75.394 tors. eta vs tors. theta energy: -122.769 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: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1135.042446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.042446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.042446 (E_RNA) where: Base-Base interactions energy: -700.801 where: short stacking energy: -370.643 Base-Backbone interact. energy: -3.003 local terms energy: -431.238730 where: bonds (distance) C4'-P energy: -87.057 bonds (distance) P-C4' energy: -94.120 flat angles C4'-P-C4' energy: -94.249 flat angles P-C4'-P energy: -58.115 tors. eta vs tors. theta energy: -97.699 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: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1080.308549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.308549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.308549 (E_RNA) where: Base-Base interactions energy: -689.339 where: short stacking energy: -316.701 Base-Backbone interact. energy: 1.423 local terms energy: -392.393014 where: bonds (distance) C4'-P energy: -81.536 bonds (distance) P-C4' energy: -94.168 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -71.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1023.310420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.310420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.310420 (E_RNA) where: Base-Base interactions energy: -633.033 where: short stacking energy: -316.760 Base-Backbone interact. energy: -1.444 local terms energy: -388.833439 where: bonds (distance) C4'-P energy: -79.527 bonds (distance) P-C4' energy: -84.332 flat angles C4'-P-C4' energy: -102.710 flat angles P-C4'-P energy: -55.229 tors. eta vs tors. theta energy: -67.035 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: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -861.385161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.385161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.385161 (E_RNA) where: Base-Base interactions energy: -483.731 where: short stacking energy: -244.359 Base-Backbone interact. energy: -2.006 local terms energy: -375.648429 where: bonds (distance) C4'-P energy: -94.739 bonds (distance) P-C4' energy: -91.382 flat angles C4'-P-C4' energy: -83.163 flat angles P-C4'-P energy: -60.713 tors. eta vs tors. theta energy: -45.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -687.313717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.313717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.313717 (E_RNA) where: Base-Base interactions energy: -373.660 where: short stacking energy: -190.628 Base-Backbone interact. energy: -1.237 local terms energy: -312.416393 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -88.874 flat angles C4'-P-C4' energy: -81.420 flat angles P-C4'-P energy: -46.368 tors. eta vs tors. theta energy: -21.663 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: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -590.502495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.502495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.502495 (E_RNA) where: Base-Base interactions energy: -309.273 where: short stacking energy: -172.929 Base-Backbone interact. energy: -0.846 local terms energy: -280.382520 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -73.097 flat angles C4'-P-C4' energy: -76.593 flat angles P-C4'-P energy: -48.786 tors. eta vs tors. theta energy: -5.447 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: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -563.502118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.502118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.502118 (E_RNA) where: Base-Base interactions energy: -259.503 where: short stacking energy: -151.784 Base-Backbone interact. energy: -0.260 local terms energy: -303.739325 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -84.633 flat angles C4'-P-C4' energy: -78.907 flat angles P-C4'-P energy: -52.773 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -373.204366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.204366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.204366 (E_RNA) where: Base-Base interactions energy: -139.875 where: short stacking energy: -96.733 Base-Backbone interact. energy: 1.870 local terms energy: -235.198980 where: bonds (distance) C4'-P energy: -90.344 bonds (distance) P-C4' energy: -77.548 flat angles C4'-P-C4' energy: -54.238 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: 29.370 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: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1438.622298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.622298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.622298 (E_RNA) where: Base-Base interactions energy: -952.337 where: short stacking energy: -441.747 Base-Backbone interact. energy: -1.269 local terms energy: -485.016707 where: bonds (distance) C4'-P energy: -99.099 bonds (distance) P-C4' energy: -94.044 flat angles C4'-P-C4' energy: -105.850 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -121.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1349.956706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.956706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.956706 (E_RNA) where: Base-Base interactions energy: -863.672 where: short stacking energy: -424.006 Base-Backbone interact. energy: -1.962 local terms energy: -484.322899 where: bonds (distance) C4'-P energy: -95.023 bonds (distance) P-C4' energy: -100.975 flat angles C4'-P-C4' energy: -103.992 flat angles P-C4'-P energy: -60.360 tors. eta vs tors. theta energy: -123.973 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: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1165.141707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.141707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.141707 (E_RNA) where: Base-Base interactions energy: -735.267 where: short stacking energy: -362.040 Base-Backbone interact. energy: -1.461 local terms energy: -428.413645 where: bonds (distance) C4'-P energy: -101.105 bonds (distance) P-C4' energy: -89.202 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -56.482 tors. eta vs tors. theta energy: -86.928 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: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1103.234435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.234435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.234435 (E_RNA) where: Base-Base interactions energy: -672.830 where: short stacking energy: -337.083 Base-Backbone interact. energy: -1.044 local terms energy: -429.359855 where: bonds (distance) C4'-P energy: -93.646 bonds (distance) P-C4' energy: -91.964 flat angles C4'-P-C4' energy: -93.793 flat angles P-C4'-P energy: -59.218 tors. eta vs tors. theta energy: -90.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -993.323169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.323169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.323169 (E_RNA) where: Base-Base interactions energy: -611.544 where: short stacking energy: -293.114 Base-Backbone interact. energy: 1.289 local terms energy: -383.067748 where: bonds (distance) C4'-P energy: -83.749 bonds (distance) P-C4' energy: -89.764 flat angles C4'-P-C4' energy: -88.087 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -68.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -822.195173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.195173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.195173 (E_RNA) where: Base-Base interactions energy: -466.020 where: short stacking energy: -250.894 Base-Backbone interact. energy: -3.236 local terms energy: -352.939685 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -85.866 flat angles P-C4'-P energy: -57.703 tors. eta vs tors. theta energy: -39.363 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: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -687.573940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.573940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.573940 (E_RNA) where: Base-Base interactions energy: -371.072 where: short stacking energy: -195.581 Base-Backbone interact. energy: 1.170 local terms energy: -317.672235 where: bonds (distance) C4'-P energy: -82.518 bonds (distance) P-C4' energy: -99.591 flat angles C4'-P-C4' energy: -71.800 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -13.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -610.108947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.108947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.108947 (E_RNA) where: Base-Base interactions energy: -305.501 where: short stacking energy: -170.044 Base-Backbone interact. energy: 6.924 local terms energy: -311.531660 where: bonds (distance) C4'-P energy: -71.684 bonds (distance) P-C4' energy: -90.367 flat angles C4'-P-C4' energy: -83.194 flat angles P-C4'-P energy: -52.836 tors. eta vs tors. theta energy: -13.450 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: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -583.993651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.993651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.993651 (E_RNA) where: Base-Base interactions energy: -297.585 where: short stacking energy: -165.581 Base-Backbone interact. energy: 0.256 local terms energy: -286.664927 where: bonds (distance) C4'-P energy: -80.851 bonds (distance) P-C4' energy: -85.597 flat angles C4'-P-C4' energy: -64.732 flat angles P-C4'-P energy: -44.236 tors. eta vs tors. theta energy: -11.248 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: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -377.759339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.759339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.759339 (E_RNA) where: Base-Base interactions energy: -153.211 where: short stacking energy: -105.382 Base-Backbone interact. energy: -3.337 local terms energy: -221.212035 where: bonds (distance) C4'-P energy: -76.334 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -36.199 tors. eta vs tors. theta energy: 25.769 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: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1462.470708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.470708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.470708 (E_RNA) where: Base-Base interactions energy: -966.911 where: short stacking energy: -457.889 Base-Backbone interact. energy: 1.491 local terms energy: -497.051129 where: bonds (distance) C4'-P energy: -99.003 bonds (distance) P-C4' energy: -99.895 flat angles C4'-P-C4' energy: -101.906 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -125.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1321.083715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.083715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.083715 (E_RNA) where: Base-Base interactions energy: -849.409 where: short stacking energy: -414.501 Base-Backbone interact. energy: -0.625 local terms energy: -471.049522 where: bonds (distance) C4'-P energy: -103.326 bonds (distance) P-C4' energy: -87.511 flat angles C4'-P-C4' energy: -100.368 flat angles P-C4'-P energy: -61.702 tors. eta vs tors. theta energy: -118.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1164.699452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.699452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.699452 (E_RNA) where: Base-Base interactions energy: -755.660 where: short stacking energy: -357.397 Base-Backbone interact. energy: -0.731 local terms energy: -408.308274 where: bonds (distance) C4'-P energy: -85.688 bonds (distance) P-C4' energy: -84.337 flat angles C4'-P-C4' energy: -95.813 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -95.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1124.250796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.250796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.250796 (E_RNA) where: Base-Base interactions energy: -690.325 where: short stacking energy: -331.546 Base-Backbone interact. energy: -1.468 local terms energy: -432.457584 where: bonds (distance) C4'-P energy: -82.922 bonds (distance) P-C4' energy: -90.082 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -100.645 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: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1043.627631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.627631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.627631 (E_RNA) where: Base-Base interactions energy: -647.710 where: short stacking energy: -307.301 Base-Backbone interact. energy: -1.046 local terms energy: -394.871035 where: bonds (distance) C4'-P energy: -90.102 bonds (distance) P-C4' energy: -87.810 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -53.512 tors. eta vs tors. theta energy: -80.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -789.280822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.280822 (E_RNA) where: Base-Base interactions energy: -454.628 where: short stacking energy: -228.022 Base-Backbone interact. energy: 2.966 local terms energy: -337.618976 where: bonds (distance) C4'-P energy: -87.810 bonds (distance) P-C4' energy: -77.149 flat angles C4'-P-C4' energy: -90.188 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: -22.793 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: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -679.562153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.562153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.562153 (E_RNA) where: Base-Base interactions energy: -378.771 where: short stacking energy: -193.826 Base-Backbone interact. energy: -3.030 local terms energy: -297.760899 where: bonds (distance) C4'-P energy: -78.226 bonds (distance) P-C4' energy: -83.886 flat angles C4'-P-C4' energy: -71.305 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -13.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -661.208225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.208225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.208225 (E_RNA) where: Base-Base interactions energy: -344.006 where: short stacking energy: -188.826 Base-Backbone interact. energy: -1.749 local terms energy: -315.452678 where: bonds (distance) C4'-P energy: -86.625 bonds (distance) P-C4' energy: -81.564 flat angles C4'-P-C4' energy: -67.941 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -22.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -594.397796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.397796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.397796 (E_RNA) where: Base-Base interactions energy: -335.728 where: short stacking energy: -195.148 Base-Backbone interact. energy: -0.593 local terms energy: -258.076770 where: bonds (distance) C4'-P energy: -67.186 bonds (distance) P-C4' energy: -79.252 flat angles C4'-P-C4' energy: -59.255 flat angles P-C4'-P energy: -39.022 tors. eta vs tors. theta energy: -13.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -390.244445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.244445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.244445 (E_RNA) where: Base-Base interactions energy: -139.101 where: short stacking energy: -85.823 Base-Backbone interact. energy: -3.365 local terms energy: -247.778626 where: bonds (distance) C4'-P energy: -73.443 bonds (distance) P-C4' energy: -86.769 flat angles C4'-P-C4' energy: -54.107 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: 19.707 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: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1416.368081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.368081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.368081 (E_RNA) where: Base-Base interactions energy: -917.156 where: short stacking energy: -427.380 Base-Backbone interact. energy: -2.707 local terms energy: -496.505055 where: bonds (distance) C4'-P energy: -98.704 bonds (distance) P-C4' energy: -101.807 flat angles C4'-P-C4' energy: -102.923 flat angles P-C4'-P energy: -67.591 tors. eta vs tors. theta energy: -125.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1344.899503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.899503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.899503 (E_RNA) where: Base-Base interactions energy: -850.081 where: short stacking energy: -420.045 Base-Backbone interact. energy: -2.898 local terms energy: -491.920534 where: bonds (distance) C4'-P energy: -92.682 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -112.996 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -114.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1110.921277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.921277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.921277 (E_RNA) where: Base-Base interactions energy: -699.404 where: short stacking energy: -337.300 Base-Backbone interact. energy: -0.385 local terms energy: -411.132260 where: bonds (distance) C4'-P energy: -92.823 bonds (distance) P-C4' energy: -90.430 flat angles C4'-P-C4' energy: -101.834 flat angles P-C4'-P energy: -51.976 tors. eta vs tors. theta energy: -74.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1106.780665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.780665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.780665 (E_RNA) where: Base-Base interactions energy: -690.709 where: short stacking energy: -334.525 Base-Backbone interact. energy: 1.938 local terms energy: -418.008926 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -89.742 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: -93.758 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: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1038.308703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.308703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.308703 (E_RNA) where: Base-Base interactions energy: -635.980 where: short stacking energy: -303.656 Base-Backbone interact. energy: -1.419 local terms energy: -400.909916 where: bonds (distance) C4'-P energy: -87.995 bonds (distance) P-C4' energy: -83.751 flat angles C4'-P-C4' energy: -93.658 flat angles P-C4'-P energy: -53.746 tors. eta vs tors. theta energy: -81.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -798.242541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.242541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.242541 (E_RNA) where: Base-Base interactions energy: -468.588 where: short stacking energy: -237.822 Base-Backbone interact. energy: -3.380 local terms energy: -326.274341 where: bonds (distance) C4'-P energy: -81.566 bonds (distance) P-C4' energy: -91.563 flat angles C4'-P-C4' energy: -84.103 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: -27.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -628.847791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.847791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.847791 (E_RNA) where: Base-Base interactions energy: -298.022 where: short stacking energy: -159.713 Base-Backbone interact. energy: -3.298 local terms energy: -327.528188 where: bonds (distance) C4'-P energy: -75.098 bonds (distance) P-C4' energy: -93.150 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -22.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -688.373707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.373707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.373707 (E_RNA) where: Base-Base interactions energy: -345.654 where: short stacking energy: -204.772 Base-Backbone interact. energy: -2.181 local terms energy: -340.539493 where: bonds (distance) C4'-P energy: -95.385 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -47.491 tors. eta vs tors. theta energy: -40.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -612.297817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.297817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.297817 (E_RNA) where: Base-Base interactions energy: -296.186 where: short stacking energy: -171.855 Base-Backbone interact. energy: -0.816 local terms energy: -315.296357 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -88.136 flat angles C4'-P-C4' energy: -75.130 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -18.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -414.049364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.049364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.049364 (E_RNA) where: Base-Base interactions energy: -146.098 where: short stacking energy: -107.423 Base-Backbone interact. energy: 2.236 local terms energy: -270.187588 where: bonds (distance) C4'-P energy: -90.511 bonds (distance) P-C4' energy: -91.052 flat angles C4'-P-C4' energy: -66.263 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: 32.056 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: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1417.915185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.915185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.915185 (E_RNA) where: Base-Base interactions energy: -921.981 where: short stacking energy: -417.036 Base-Backbone interact. energy: -0.135 local terms energy: -495.799152 where: bonds (distance) C4'-P energy: -96.558 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -110.252 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -124.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1325.538480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.538480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.538480 (E_RNA) where: Base-Base interactions energy: -867.830 where: short stacking energy: -414.726 Base-Backbone interact. energy: -0.808 local terms energy: -456.900387 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -96.311 flat angles C4'-P-C4' energy: -89.037 flat angles P-C4'-P energy: -72.483 tors. eta vs tors. theta energy: -113.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1111.553294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.553294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.553294 (E_RNA) where: Base-Base interactions energy: -667.112 where: short stacking energy: -355.647 Base-Backbone interact. energy: -1.568 local terms energy: -442.874166 where: bonds (distance) C4'-P energy: -96.112 bonds (distance) P-C4' energy: -88.507 flat angles C4'-P-C4' energy: -102.195 flat angles P-C4'-P energy: -55.962 tors. eta vs tors. theta energy: -100.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1114.750659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.750659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.750659 (E_RNA) where: Base-Base interactions energy: -694.028 where: short stacking energy: -350.390 Base-Backbone interact. energy: -0.522 local terms energy: -420.200579 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -94.196 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -55.782 tors. eta vs tors. theta energy: -91.726 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: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1059.276162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.276162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.276162 (E_RNA) where: Base-Base interactions energy: -666.705 where: short stacking energy: -306.542 Base-Backbone interact. energy: -1.918 local terms energy: -390.653010 where: bonds (distance) C4'-P energy: -89.888 bonds (distance) P-C4' energy: -79.407 flat angles C4'-P-C4' energy: -85.496 flat angles P-C4'-P energy: -46.855 tors. eta vs tors. theta energy: -89.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -824.708720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.708720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.708720 (E_RNA) where: Base-Base interactions energy: -475.632 where: short stacking energy: -235.885 Base-Backbone interact. energy: -0.939 local terms energy: -348.137286 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -86.381 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -53.348 tors. eta vs tors. theta energy: -33.939 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: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -624.232353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.232353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.232353 (E_RNA) where: Base-Base interactions energy: -312.819 where: short stacking energy: -192.763 Base-Backbone interact. energy: 0.506 local terms energy: -311.919523 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -87.002 flat angles C4'-P-C4' energy: -77.333 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -648.498103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.498103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.498103 (E_RNA) where: Base-Base interactions energy: -361.518 where: short stacking energy: -199.407 Base-Backbone interact. energy: -1.573 local terms energy: -285.407933 where: bonds (distance) C4'-P energy: -81.646 bonds (distance) P-C4' energy: -67.495 flat angles C4'-P-C4' energy: -72.846 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -573.632239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.632239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.632239 (E_RNA) where: Base-Base interactions energy: -292.081 where: short stacking energy: -169.044 Base-Backbone interact. energy: -1.985 local terms energy: -279.566041 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -74.736 flat angles P-C4'-P energy: -34.817 tors. eta vs tors. theta energy: -6.158 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: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -382.925095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.925095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.925095 (E_RNA) where: Base-Base interactions energy: -138.390 where: short stacking energy: -100.546 Base-Backbone interact. energy: -2.431 local terms energy: -242.104117 where: bonds (distance) C4'-P energy: -80.770 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -70.965 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: 28.937 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: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1405.338465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.338465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.338465 (E_RNA) where: Base-Base interactions energy: -921.946 where: short stacking energy: -446.129 Base-Backbone interact. energy: 0.097 local terms energy: -483.489150 where: bonds (distance) C4'-P energy: -98.192 bonds (distance) P-C4' energy: -89.384 flat angles C4'-P-C4' energy: -106.164 flat angles P-C4'-P energy: -77.509 tors. eta vs tors. theta energy: -112.241 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: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1365.531636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.531636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.531636 (E_RNA) where: Base-Base interactions energy: -879.524 where: short stacking energy: -410.505 Base-Backbone interact. energy: 0.611 local terms energy: -486.618156 where: bonds (distance) C4'-P energy: -100.116 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -106.811 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -122.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1132.889883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.889883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.889883 (E_RNA) where: Base-Base interactions energy: -702.917 where: short stacking energy: -347.118 Base-Backbone interact. energy: -2.116 local terms energy: -427.856819 where: bonds (distance) C4'-P energy: -98.123 bonds (distance) P-C4' energy: -88.284 flat angles C4'-P-C4' energy: -88.914 flat angles P-C4'-P energy: -55.709 tors. eta vs tors. theta energy: -96.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1111.699222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.699222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.699222 (E_RNA) where: Base-Base interactions energy: -701.775 where: short stacking energy: -343.000 Base-Backbone interact. energy: 0.723 local terms energy: -410.646743 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -97.612 flat angles C4'-P-C4' energy: -101.575 flat angles P-C4'-P energy: -59.200 tors. eta vs tors. theta energy: -90.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1044.789281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.789281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.789281 (E_RNA) where: Base-Base interactions energy: -650.078 where: short stacking energy: -305.049 Base-Backbone interact. energy: 2.150 local terms energy: -396.861897 where: bonds (distance) C4'-P energy: -96.458 bonds (distance) P-C4' energy: -86.536 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -48.155 tors. eta vs tors. theta energy: -68.938 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: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -875.893108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.893108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.893108 (E_RNA) where: Base-Base interactions energy: -504.163 where: short stacking energy: -243.589 Base-Backbone interact. energy: 0.231 local terms energy: -371.961042 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -81.259 flat angles C4'-P-C4' energy: -92.222 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -51.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -788.524620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.524620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.524620 (E_RNA) where: Base-Base interactions energy: -454.472 where: short stacking energy: -234.183 Base-Backbone interact. energy: -0.965 local terms energy: -333.087839 where: bonds (distance) C4'-P energy: -86.405 bonds (distance) P-C4' energy: -73.940 flat angles C4'-P-C4' energy: -92.319 flat angles P-C4'-P energy: -53.646 tors. eta vs tors. theta energy: -26.778 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -607.253327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.253327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.253327 (E_RNA) where: Base-Base interactions energy: -315.799 where: short stacking energy: -147.912 Base-Backbone interact. energy: 3.402 local terms energy: -294.856287 where: bonds (distance) C4'-P energy: -86.157 bonds (distance) P-C4' energy: -86.258 flat angles C4'-P-C4' energy: -65.049 flat angles P-C4'-P energy: -51.852 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -608.037896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.037896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.037896 (E_RNA) where: Base-Base interactions energy: -303.091 where: short stacking energy: -172.783 Base-Backbone interact. energy: 2.194 local terms energy: -307.141794 where: bonds (distance) C4'-P energy: -74.387 bonds (distance) P-C4' energy: -85.757 flat angles C4'-P-C4' energy: -78.434 flat angles P-C4'-P energy: -52.473 tors. eta vs tors. theta energy: -16.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -414.078732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.078732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.078732 (E_RNA) where: Base-Base interactions energy: -152.359 where: short stacking energy: -86.343 Base-Backbone interact. energy: -1.045 local terms energy: -260.674653 where: bonds (distance) C4'-P energy: -88.117 bonds (distance) P-C4' energy: -88.939 flat angles C4'-P-C4' energy: -59.115 flat angles P-C4'-P energy: -35.629 tors. eta vs tors. theta energy: 11.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1395.647523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.647523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.647523 (E_RNA) where: Base-Base interactions energy: -920.420 where: short stacking energy: -420.762 Base-Backbone interact. energy: -6.204 local terms energy: -469.023262 where: bonds (distance) C4'-P energy: -95.048 bonds (distance) P-C4' energy: -98.352 flat angles C4'-P-C4' energy: -95.694 flat angles P-C4'-P energy: -73.940 tors. eta vs tors. theta energy: -105.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1354.748059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.748059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.748059 (E_RNA) where: Base-Base interactions energy: -874.777 where: short stacking energy: -426.481 Base-Backbone interact. energy: -0.072 local terms energy: -479.899346 where: bonds (distance) C4'-P energy: -87.938 bonds (distance) P-C4' energy: -94.986 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -73.006 tors. eta vs tors. theta energy: -126.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1096.112806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.112806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.112806 (E_RNA) where: Base-Base interactions energy: -674.169 where: short stacking energy: -337.159 Base-Backbone interact. energy: -2.317 local terms energy: -419.626714 where: bonds (distance) C4'-P energy: -89.515 bonds (distance) P-C4' energy: -93.033 flat angles C4'-P-C4' energy: -96.223 flat angles P-C4'-P energy: -54.297 tors. eta vs tors. theta energy: -86.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1127.081771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.081771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.081771 (E_RNA) where: Base-Base interactions energy: -716.328 where: short stacking energy: -366.874 Base-Backbone interact. energy: 1.704 local terms energy: -412.458069 where: bonds (distance) C4'-P energy: -77.956 bonds (distance) P-C4' energy: -92.362 flat angles C4'-P-C4' energy: -95.950 flat angles P-C4'-P energy: -57.030 tors. eta vs tors. theta energy: -89.160 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: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1091.842730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.842730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.842730 (E_RNA) where: Base-Base interactions energy: -701.175 where: short stacking energy: -322.909 Base-Backbone interact. energy: 0.098 local terms energy: -390.766014 where: bonds (distance) C4'-P energy: -79.586 bonds (distance) P-C4' energy: -76.088 flat angles C4'-P-C4' energy: -98.719 flat angles P-C4'-P energy: -52.076 tors. eta vs tors. theta energy: -84.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -785.815061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.815061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.815061 (E_RNA) where: Base-Base interactions energy: -452.704 where: short stacking energy: -216.187 Base-Backbone interact. energy: -1.567 local terms energy: -331.543781 where: bonds (distance) C4'-P energy: -79.421 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -89.113 flat angles P-C4'-P energy: -41.757 tors. eta vs tors. theta energy: -38.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -843.781019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.781019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.781019 (E_RNA) where: Base-Base interactions energy: -486.351 where: short stacking energy: -253.614 Base-Backbone interact. energy: 0.486 local terms energy: -357.916326 where: bonds (distance) C4'-P energy: -76.695 bonds (distance) P-C4' energy: -84.776 flat angles C4'-P-C4' energy: -98.193 flat angles P-C4'-P energy: -46.298 tors. eta vs tors. theta energy: -51.953 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: 65 Temperature: 1.250000 Total energy: -649.245328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.245328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.245328 (E_RNA) where: Base-Base interactions energy: -327.956 where: short stacking energy: -173.017 Base-Backbone interact. energy: -0.213 local terms energy: -321.076704 where: bonds (distance) C4'-P energy: -98.703 bonds (distance) P-C4' energy: -86.901 flat angles C4'-P-C4' energy: -65.150 flat angles P-C4'-P energy: -57.285 tors. eta vs tors. theta energy: -13.038 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: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -583.707830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.707830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.707830 (E_RNA) where: Base-Base interactions energy: -324.615 where: short stacking energy: -185.180 Base-Backbone interact. energy: -0.858 local terms energy: -258.235164 where: bonds (distance) C4'-P energy: -71.238 bonds (distance) P-C4' energy: -73.429 flat angles C4'-P-C4' energy: -61.430 flat angles P-C4'-P energy: -33.710 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: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -422.412160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.412160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.412160 (E_RNA) where: Base-Base interactions energy: -164.308 where: short stacking energy: -104.091 Base-Backbone interact. energy: -2.186 local terms energy: -255.917916 where: bonds (distance) C4'-P energy: -75.897 bonds (distance) P-C4' energy: -82.071 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -31.908 tors. eta vs tors. theta energy: 9.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1410.998118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.998118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.998118 (E_RNA) where: Base-Base interactions energy: -940.484 where: short stacking energy: -421.078 Base-Backbone interact. energy: -3.622 local terms energy: -466.893096 where: bonds (distance) C4'-P energy: -95.098 bonds (distance) P-C4' energy: -95.123 flat angles C4'-P-C4' energy: -108.732 flat angles P-C4'-P energy: -59.826 tors. eta vs tors. theta energy: -108.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1319.119797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.119797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.119797 (E_RNA) where: Base-Base interactions energy: -853.598 where: short stacking energy: -397.291 Base-Backbone interact. energy: -0.536 local terms energy: -464.985764 where: bonds (distance) C4'-P energy: -87.708 bonds (distance) P-C4' energy: -94.092 flat angles C4'-P-C4' energy: -107.783 flat angles P-C4'-P energy: -77.118 tors. eta vs tors. theta energy: -98.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1163.909615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.909615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.909615 (E_RNA) where: Base-Base interactions energy: -730.718 where: short stacking energy: -340.745 Base-Backbone interact. energy: -0.005 local terms energy: -433.186683 where: bonds (distance) C4'-P energy: -85.975 bonds (distance) P-C4' energy: -94.613 flat angles C4'-P-C4' energy: -98.601 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: -87.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1055.687106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.687106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.687106 (E_RNA) where: Base-Base interactions energy: -650.129 where: short stacking energy: -330.437 Base-Backbone interact. energy: 5.967 local terms energy: -411.524848 where: bonds (distance) C4'-P energy: -92.889 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -95.018 flat angles P-C4'-P energy: -55.938 tors. eta vs tors. theta energy: -86.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1042.197054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.197054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.197054 (E_RNA) where: Base-Base interactions energy: -668.362 where: short stacking energy: -297.116 Base-Backbone interact. energy: 5.504 local terms energy: -379.338911 where: bonds (distance) C4'-P energy: -80.500 bonds (distance) P-C4' energy: -87.921 flat angles C4'-P-C4' energy: -91.206 flat angles P-C4'-P energy: -60.629 tors. eta vs tors. theta energy: -59.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -817.417803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.417803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.417803 (E_RNA) where: Base-Base interactions energy: -464.869 where: short stacking energy: -239.837 Base-Backbone interact. energy: -0.929 local terms energy: -351.618943 where: bonds (distance) C4'-P energy: -84.251 bonds (distance) P-C4' energy: -86.151 flat angles C4'-P-C4' energy: -79.491 flat angles P-C4'-P energy: -50.816 tors. eta vs tors. theta energy: -50.910 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: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -849.725306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.725306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.725306 (E_RNA) where: Base-Base interactions energy: -506.388 where: short stacking energy: -248.824 Base-Backbone interact. energy: -1.470 local terms energy: -341.867027 where: bonds (distance) C4'-P energy: -77.527 bonds (distance) P-C4' energy: -99.798 flat angles C4'-P-C4' energy: -73.550 flat angles P-C4'-P energy: -40.601 tors. eta vs tors. theta energy: -50.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -653.968503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.968503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.968503 (E_RNA) where: Base-Base interactions energy: -336.596 where: short stacking energy: -210.932 Base-Backbone interact. energy: -0.799 local terms energy: -316.574020 where: bonds (distance) C4'-P energy: -84.385 bonds (distance) P-C4' energy: -92.968 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -23.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -630.686369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.686369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.686369 (E_RNA) where: Base-Base interactions energy: -331.702 where: short stacking energy: -185.712 Base-Backbone interact. energy: -0.699 local terms energy: -298.285627 where: bonds (distance) C4'-P energy: -70.241 bonds (distance) P-C4' energy: -86.313 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -42.481 tors. eta vs tors. theta energy: -12.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -443.478326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.478326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.478326 (E_RNA) where: Base-Base interactions energy: -185.007 where: short stacking energy: -114.099 Base-Backbone interact. energy: -0.706 local terms energy: -257.765402 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -69.213 flat angles C4'-P-C4' energy: -66.095 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1405.796021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.796021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.796021 (E_RNA) where: Base-Base interactions energy: -942.910 where: short stacking energy: -434.024 Base-Backbone interact. energy: -5.678 local terms energy: -457.208118 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -95.080 flat angles C4'-P-C4' energy: -100.701 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -115.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1336.108525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.108525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.108525 (E_RNA) where: Base-Base interactions energy: -887.628 where: short stacking energy: -438.527 Base-Backbone interact. energy: -0.939 local terms energy: -447.541288 where: bonds (distance) C4'-P energy: -91.539 bonds (distance) P-C4' energy: -95.561 flat angles C4'-P-C4' energy: -86.331 flat angles P-C4'-P energy: -64.130 tors. eta vs tors. theta energy: -109.980 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: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1174.242924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.242924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.242924 (E_RNA) where: Base-Base interactions energy: -731.935 where: short stacking energy: -344.405 Base-Backbone interact. energy: -3.382 local terms energy: -438.925848 where: bonds (distance) C4'-P energy: -93.680 bonds (distance) P-C4' energy: -103.891 flat angles C4'-P-C4' energy: -103.217 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: -77.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1063.566619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.566619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.566619 (E_RNA) where: Base-Base interactions energy: -638.783 where: short stacking energy: -325.622 Base-Backbone interact. energy: 1.512 local terms energy: -426.296439 where: bonds (distance) C4'-P energy: -96.738 bonds (distance) P-C4' energy: -87.894 flat angles C4'-P-C4' energy: -108.258 flat angles P-C4'-P energy: -43.688 tors. eta vs tors. theta energy: -89.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1029.424737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.424737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.424737 (E_RNA) where: Base-Base interactions energy: -637.113 where: short stacking energy: -303.625 Base-Backbone interact. energy: -1.609 local terms energy: -390.702174 where: bonds (distance) C4'-P energy: -84.983 bonds (distance) P-C4' energy: -90.707 flat angles C4'-P-C4' energy: -88.536 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: -67.675 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: 9 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -849.978259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.978259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.978259 (E_RNA) where: Base-Base interactions energy: -503.637 where: short stacking energy: -268.962 Base-Backbone interact. energy: -0.359 local terms energy: -345.982272 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -68.781 flat angles C4'-P-C4' energy: -88.586 flat angles P-C4'-P energy: -44.837 tors. eta vs tors. theta energy: -50.418 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: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -730.949659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.949659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.949659 (E_RNA) where: Base-Base interactions energy: -412.190 where: short stacking energy: -181.681 Base-Backbone interact. energy: -2.984 local terms energy: -315.775773 where: bonds (distance) C4'-P energy: -78.275 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -75.986 flat angles P-C4'-P energy: -55.704 tors. eta vs tors. theta energy: -13.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -623.193354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.193354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.193354 (E_RNA) where: Base-Base interactions energy: -334.248 where: short stacking energy: -188.544 Base-Backbone interact. energy: 1.699 local terms energy: -290.644118 where: bonds (distance) C4'-P energy: -66.584 bonds (distance) P-C4' energy: -82.775 flat angles C4'-P-C4' energy: -81.855 flat angles P-C4'-P energy: -48.625 tors. eta vs tors. theta energy: -10.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -604.867262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.867262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.867262 (E_RNA) where: Base-Base interactions energy: -330.177 where: short stacking energy: -174.185 Base-Backbone interact. energy: 0.273 local terms energy: -274.964097 where: bonds (distance) C4'-P energy: -56.891 bonds (distance) P-C4' energy: -85.774 flat angles C4'-P-C4' energy: -80.039 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -411.336019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.336019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.336019 (E_RNA) where: Base-Base interactions energy: -186.687 where: short stacking energy: -122.935 Base-Backbone interact. energy: -3.513 local terms energy: -221.135860 where: bonds (distance) C4'-P energy: -69.442 bonds (distance) P-C4' energy: -82.487 flat angles C4'-P-C4' energy: -66.527 flat angles P-C4'-P energy: -15.985 tors. eta vs tors. theta energy: 13.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1419.817521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.817521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.817521 (E_RNA) where: Base-Base interactions energy: -938.006 where: short stacking energy: -436.374 Base-Backbone interact. energy: -0.283 local terms energy: -481.528515 where: bonds (distance) C4'-P energy: -82.378 bonds (distance) P-C4' energy: -99.344 flat angles C4'-P-C4' energy: -97.966 flat angles P-C4'-P energy: -74.081 tors. eta vs tors. theta energy: -127.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1344.481523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.481523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.481523 (E_RNA) where: Base-Base interactions energy: -864.707 where: short stacking energy: -419.241 Base-Backbone interact. energy: -2.994 local terms energy: -476.780632 where: bonds (distance) C4'-P energy: -88.461 bonds (distance) P-C4' energy: -103.264 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -111.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1128.117136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.117136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.117136 (E_RNA) where: Base-Base interactions energy: -700.578 where: short stacking energy: -324.010 Base-Backbone interact. energy: -4.545 local terms energy: -422.993301 where: bonds (distance) C4'-P energy: -88.085 bonds (distance) P-C4' energy: -100.864 flat angles C4'-P-C4' energy: -106.859 flat angles P-C4'-P energy: -51.507 tors. eta vs tors. theta energy: -75.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1136.189370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.189370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.189370 (E_RNA) where: Base-Base interactions energy: -747.823 where: short stacking energy: -359.113 Base-Backbone interact. energy: -0.070 local terms energy: -388.297051 where: bonds (distance) C4'-P energy: -79.308 bonds (distance) P-C4' energy: -79.309 flat angles C4'-P-C4' energy: -92.261 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -86.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1080.956138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.956138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.956138 (E_RNA) where: Base-Base interactions energy: -668.341 where: short stacking energy: -308.020 Base-Backbone interact. energy: -2.210 local terms energy: -410.405623 where: bonds (distance) C4'-P energy: -92.444 bonds (distance) P-C4' energy: -98.318 flat angles C4'-P-C4' energy: -86.590 flat angles P-C4'-P energy: -62.523 tors. eta vs tors. theta energy: -70.531 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: 6, replica: 9 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -865.691895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.691895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.691895 (E_RNA) where: Base-Base interactions energy: -500.033 where: short stacking energy: -267.760 Base-Backbone interact. energy: -2.524 local terms energy: -363.134728 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -84.025 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -58.264 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: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -726.750450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.750450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.750450 (E_RNA) where: Base-Base interactions energy: -419.537 where: short stacking energy: -198.042 Base-Backbone interact. energy: -0.841 local terms energy: -306.372192 where: bonds (distance) C4'-P energy: -87.108 bonds (distance) P-C4' energy: -89.520 flat angles C4'-P-C4' energy: -67.701 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -10.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -616.821373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.821373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.821373 (E_RNA) where: Base-Base interactions energy: -316.186 where: short stacking energy: -182.643 Base-Backbone interact. energy: 4.703 local terms energy: -305.337476 where: bonds (distance) C4'-P energy: -91.937 bonds (distance) P-C4' energy: -86.599 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -10.841 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: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -537.824083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.824083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.824083 (E_RNA) where: Base-Base interactions energy: -272.023 where: short stacking energy: -146.946 Base-Backbone interact. energy: 0.078 local terms energy: -265.878481 where: bonds (distance) C4'-P energy: -81.311 bonds (distance) P-C4' energy: -63.966 flat angles C4'-P-C4' energy: -82.576 flat angles P-C4'-P energy: -22.691 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: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -362.848360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.848360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.848360 (E_RNA) where: Base-Base interactions energy: -122.529 where: short stacking energy: -103.898 Base-Backbone interact. energy: -0.677 local terms energy: -239.642367 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -73.613 flat angles C4'-P-C4' energy: -60.639 flat angles P-C4'-P energy: -40.320 tors. eta vs tors. theta energy: 19.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1434.223871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.223871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.223871 (E_RNA) where: Base-Base interactions energy: -954.783 where: short stacking energy: -448.750 Base-Backbone interact. energy: 0.439 local terms energy: -479.880194 where: bonds (distance) C4'-P energy: -97.999 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -106.738 flat angles P-C4'-P energy: -60.634 tors. eta vs tors. theta energy: -125.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1333.788783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.788783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.788783 (E_RNA) where: Base-Base interactions energy: -846.251 where: short stacking energy: -407.787 Base-Backbone interact. energy: -1.235 local terms energy: -486.302846 where: bonds (distance) C4'-P energy: -99.091 bonds (distance) P-C4' energy: -89.912 flat angles C4'-P-C4' energy: -113.565 flat angles P-C4'-P energy: -69.501 tors. eta vs tors. theta energy: -114.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1113.599549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.599549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.599549 (E_RNA) where: Base-Base interactions energy: -713.667 where: short stacking energy: -359.595 Base-Backbone interact. energy: -1.590 local terms energy: -398.342103 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -85.076 flat angles C4'-P-C4' energy: -102.229 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: -71.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1154.844556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.844556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.844556 (E_RNA) where: Base-Base interactions energy: -744.260 where: short stacking energy: -340.070 Base-Backbone interact. energy: 1.147 local terms energy: -411.731944 where: bonds (distance) C4'-P energy: -76.488 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -107.792 flat angles P-C4'-P energy: -59.429 tors. eta vs tors. theta energy: -97.862 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: 69 Temperature: 1.100000 Total energy: -1056.553577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.553577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.553577 (E_RNA) where: Base-Base interactions energy: -666.576 where: short stacking energy: -304.942 Base-Backbone interact. energy: 0.019 local terms energy: -389.996661 where: bonds (distance) C4'-P energy: -85.111 bonds (distance) P-C4' energy: -85.987 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -50.957 tors. eta vs tors. theta energy: -67.560 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: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -875.536442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.536442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.536442 (E_RNA) where: Base-Base interactions energy: -507.990 where: short stacking energy: -277.136 Base-Backbone interact. energy: -0.762 local terms energy: -366.783936 where: bonds (distance) C4'-P energy: -79.388 bonds (distance) P-C4' energy: -89.014 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -57.560 tors. eta vs tors. theta energy: -54.193 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: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -728.518583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.518583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.518583 (E_RNA) where: Base-Base interactions energy: -397.621 where: short stacking energy: -220.353 Base-Backbone interact. energy: -0.175 local terms energy: -330.722799 where: bonds (distance) C4'-P energy: -85.932 bonds (distance) P-C4' energy: -96.957 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -39.871 tors. eta vs tors. theta energy: -23.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -659.637758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.637758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.637758 (E_RNA) where: Base-Base interactions energy: -337.911 where: short stacking energy: -185.883 Base-Backbone interact. energy: -3.465 local terms energy: -318.262066 where: bonds (distance) C4'-P energy: -72.365 bonds (distance) P-C4' energy: -90.160 flat angles C4'-P-C4' energy: -92.596 flat angles P-C4'-P energy: -43.888 tors. eta vs tors. theta energy: -19.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -587.865829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.865829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.865829 (E_RNA) where: Base-Base interactions energy: -273.594 where: short stacking energy: -165.469 Base-Backbone interact. energy: 0.276 local terms energy: -314.547721 where: bonds (distance) C4'-P energy: -85.304 bonds (distance) P-C4' energy: -91.672 flat angles C4'-P-C4' energy: -71.303 flat angles P-C4'-P energy: -56.439 tors. eta vs tors. theta energy: -9.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -365.994675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.994675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.994675 (E_RNA) where: Base-Base interactions energy: -109.403 where: short stacking energy: -101.219 Base-Backbone interact. energy: -1.327 local terms energy: -255.264845 where: bonds (distance) C4'-P energy: -76.079 bonds (distance) P-C4' energy: -80.344 flat angles C4'-P-C4' energy: -75.747 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: 19.722 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: 1, replica: 2 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1408.402781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.402781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.402781 (E_RNA) where: Base-Base interactions energy: -914.893 where: short stacking energy: -436.210 Base-Backbone interact. energy: -3.619 local terms energy: -489.890658 where: bonds (distance) C4'-P energy: -105.554 bonds (distance) P-C4' energy: -94.358 flat angles C4'-P-C4' energy: -103.972 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -122.267 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: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1342.051758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.051758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.051758 (E_RNA) where: Base-Base interactions energy: -866.860 where: short stacking energy: -417.095 Base-Backbone interact. energy: -3.117 local terms energy: -472.074717 where: bonds (distance) C4'-P energy: -86.304 bonds (distance) P-C4' energy: -98.305 flat angles C4'-P-C4' energy: -102.567 flat angles P-C4'-P energy: -69.772 tors. eta vs tors. theta energy: -115.126 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: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1181.278217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.278217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.278217 (E_RNA) where: Base-Base interactions energy: -725.720 where: short stacking energy: -343.909 Base-Backbone interact. energy: 1.078 local terms energy: -456.636085 where: bonds (distance) C4'-P energy: -97.623 bonds (distance) P-C4' energy: -105.611 flat angles C4'-P-C4' energy: -86.571 flat angles P-C4'-P energy: -67.512 tors. eta vs tors. theta energy: -99.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1048.596131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.596131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.596131 (E_RNA) where: Base-Base interactions energy: -668.915 where: short stacking energy: -336.699 Base-Backbone interact. energy: 2.290 local terms energy: -381.970635 where: bonds (distance) C4'-P energy: -72.252 bonds (distance) P-C4' energy: -87.659 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -74.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1060.558049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.558049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.558049 (E_RNA) where: Base-Base interactions energy: -670.689 where: short stacking energy: -299.749 Base-Backbone interact. energy: -1.804 local terms energy: -388.065818 where: bonds (distance) C4'-P energy: -87.083 bonds (distance) P-C4' energy: -80.287 flat angles C4'-P-C4' energy: -93.968 flat angles P-C4'-P energy: -55.200 tors. eta vs tors. theta energy: -71.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -864.090329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.090329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.090329 (E_RNA) where: Base-Base interactions energy: -483.089 where: short stacking energy: -227.651 Base-Backbone interact. energy: -0.991 local terms energy: -380.011049 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -95.319 flat angles C4'-P-C4' energy: -94.796 flat angles P-C4'-P energy: -58.200 tors. eta vs tors. theta energy: -52.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -715.638165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.638165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.638165 (E_RNA) where: Base-Base interactions energy: -399.996 where: short stacking energy: -217.319 Base-Backbone interact. energy: -0.061 local terms energy: -315.580941 where: bonds (distance) C4'-P energy: -83.173 bonds (distance) P-C4' energy: -85.167 flat angles C4'-P-C4' energy: -60.225 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -39.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -673.033329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.033329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.033329 (E_RNA) where: Base-Base interactions energy: -359.463 where: short stacking energy: -169.310 Base-Backbone interact. energy: -1.566 local terms energy: -312.003834 where: bonds (distance) C4'-P energy: -88.823 bonds (distance) P-C4' energy: -71.252 flat angles C4'-P-C4' energy: -86.369 flat angles P-C4'-P energy: -49.733 tors. eta vs tors. theta energy: -15.827 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: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -563.848527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.848527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.848527 (E_RNA) where: Base-Base interactions energy: -295.224 where: short stacking energy: -163.564 Base-Backbone interact. energy: 0.802 local terms energy: -269.427062 where: bonds (distance) C4'-P energy: -71.356 bonds (distance) P-C4' energy: -81.776 flat angles C4'-P-C4' energy: -77.712 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: 1.993 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: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -366.133124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.133124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.133124 (E_RNA) where: Base-Base interactions energy: -121.522 where: short stacking energy: -91.813 Base-Backbone interact. energy: -0.348 local terms energy: -244.263734 where: bonds (distance) C4'-P energy: -75.892 bonds (distance) P-C4' energy: -70.148 flat angles C4'-P-C4' energy: -61.663 flat angles P-C4'-P energy: -59.220 tors. eta vs tors. theta energy: 22.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1418.918886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.918886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.918886 (E_RNA) where: Base-Base interactions energy: -940.183 where: short stacking energy: -462.522 Base-Backbone interact. energy: -3.374 local terms energy: -475.361466 where: bonds (distance) C4'-P energy: -92.486 bonds (distance) P-C4' energy: -85.336 flat angles C4'-P-C4' energy: -104.975 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -124.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1348.945893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.945893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.945893 (E_RNA) where: Base-Base interactions energy: -903.984 where: short stacking energy: -427.382 Base-Backbone interact. energy: 1.155 local terms energy: -446.116172 where: bonds (distance) C4'-P energy: -86.881 bonds (distance) P-C4' energy: -86.532 flat angles C4'-P-C4' energy: -92.107 flat angles P-C4'-P energy: -67.966 tors. eta vs tors. theta energy: -112.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1199.276116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.276116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.276116 (E_RNA) where: Base-Base interactions energy: -759.916 where: short stacking energy: -363.042 Base-Backbone interact. energy: -0.503 local terms energy: -438.856843 where: bonds (distance) C4'-P energy: -88.095 bonds (distance) P-C4' energy: -91.657 flat angles C4'-P-C4' energy: -100.769 flat angles P-C4'-P energy: -61.507 tors. eta vs tors. theta energy: -96.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1039.298749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.298749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.298749 (E_RNA) where: Base-Base interactions energy: -638.952 where: short stacking energy: -323.357 Base-Backbone interact. energy: -0.893 local terms energy: -399.453805 where: bonds (distance) C4'-P energy: -79.475 bonds (distance) P-C4' energy: -95.966 flat angles C4'-P-C4' energy: -95.110 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -77.773 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: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1058.664832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.664832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.664832 (E_RNA) where: Base-Base interactions energy: -658.706 where: short stacking energy: -292.287 Base-Backbone interact. energy: -2.054 local terms energy: -397.905226 where: bonds (distance) C4'-P energy: -91.162 bonds (distance) P-C4' energy: -81.823 flat angles C4'-P-C4' energy: -81.977 flat angles P-C4'-P energy: -71.717 tors. eta vs tors. theta energy: -71.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -873.858180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.858180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.858180 (E_RNA) where: Base-Base interactions energy: -502.910 where: short stacking energy: -262.011 Base-Backbone interact. energy: -1.570 local terms energy: -369.378276 where: bonds (distance) C4'-P energy: -77.798 bonds (distance) P-C4' energy: -86.419 flat angles C4'-P-C4' energy: -81.101 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: -57.220 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: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -748.106029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.106029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.106029 (E_RNA) where: Base-Base interactions energy: -445.782 where: short stacking energy: -226.820 Base-Backbone interact. energy: -3.388 local terms energy: -298.935461 where: bonds (distance) C4'-P energy: -69.217 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -28.488 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: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -641.273207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.273207 (E_RNA) where: Base-Base interactions energy: -362.153 where: short stacking energy: -209.892 Base-Backbone interact. energy: 0.609 local terms energy: -279.728952 where: bonds (distance) C4'-P energy: -79.697 bonds (distance) P-C4' energy: -84.457 flat angles C4'-P-C4' energy: -58.344 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -16.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -663.718080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.718080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.718080 (E_RNA) where: Base-Base interactions energy: -352.808 where: short stacking energy: -176.078 Base-Backbone interact. energy: 4.768 local terms energy: -315.678299 where: bonds (distance) C4'-P energy: -81.411 bonds (distance) P-C4' energy: -92.452 flat angles C4'-P-C4' energy: -76.338 flat angles P-C4'-P energy: -60.599 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -386.830925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.830925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.830925 (E_RNA) where: Base-Base interactions energy: -154.727 where: short stacking energy: -112.159 Base-Backbone interact. energy: -1.329 local terms energy: -230.775139 where: bonds (distance) C4'-P energy: -76.328 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -59.536 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: 10.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1443.090517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.090517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.090517 (E_RNA) where: Base-Base interactions energy: -945.132 where: short stacking energy: -465.671 Base-Backbone interact. energy: -4.856 local terms energy: -493.102699 where: bonds (distance) C4'-P energy: -98.824 bonds (distance) P-C4' energy: -95.352 flat angles C4'-P-C4' energy: -102.475 flat angles P-C4'-P energy: -70.423 tors. eta vs tors. theta energy: -126.029 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: 72 Temperature: 0.950000 Total energy: -1382.070998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.070998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.070998 (E_RNA) where: Base-Base interactions energy: -905.745 where: short stacking energy: -406.581 Base-Backbone interact. energy: -3.962 local terms energy: -472.364678 where: bonds (distance) C4'-P energy: -94.208 bonds (distance) P-C4' energy: -99.847 flat angles C4'-P-C4' energy: -100.457 flat angles P-C4'-P energy: -69.669 tors. eta vs tors. theta energy: -108.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1163.866901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.866901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.866901 (E_RNA) where: Base-Base interactions energy: -730.170 where: short stacking energy: -342.480 Base-Backbone interact. energy: -2.445 local terms energy: -431.252091 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -91.056 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -103.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1077.220654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.220654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.220654 (E_RNA) where: Base-Base interactions energy: -691.646 where: short stacking energy: -340.370 Base-Backbone interact. energy: -3.965 local terms energy: -381.609746 where: bonds (distance) C4'-P energy: -87.480 bonds (distance) P-C4' energy: -91.638 flat angles C4'-P-C4' energy: -83.755 flat angles P-C4'-P energy: -40.217 tors. eta vs tors. theta energy: -78.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1069.401894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.401894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.401894 (E_RNA) where: Base-Base interactions energy: -666.526 where: short stacking energy: -328.050 Base-Backbone interact. energy: 3.194 local terms energy: -406.069479 where: bonds (distance) C4'-P energy: -81.587 bonds (distance) P-C4' energy: -80.896 flat angles C4'-P-C4' energy: -98.639 flat angles P-C4'-P energy: -53.656 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -932.479629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.479629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.479629 (E_RNA) where: Base-Base interactions energy: -566.701 where: short stacking energy: -274.868 Base-Backbone interact. energy: -1.988 local terms energy: -363.790574 where: bonds (distance) C4'-P energy: -70.249 bonds (distance) P-C4' energy: -78.979 flat angles C4'-P-C4' energy: -84.811 flat angles P-C4'-P energy: -63.766 tors. eta vs tors. theta energy: -65.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -728.921415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.921415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.921415 (E_RNA) where: Base-Base interactions energy: -406.798 where: short stacking energy: -211.213 Base-Backbone interact. energy: 0.256 local terms energy: -322.379259 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -92.691 flat angles C4'-P-C4' energy: -78.932 flat angles P-C4'-P energy: -39.176 tors. eta vs tors. theta energy: -30.736 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: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -684.579474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.579474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.579474 (E_RNA) where: Base-Base interactions energy: -339.910 where: short stacking energy: -198.880 Base-Backbone interact. energy: 0.286 local terms energy: -344.955170 where: bonds (distance) C4'-P energy: -86.642 bonds (distance) P-C4' energy: -95.281 flat angles C4'-P-C4' energy: -71.301 flat angles P-C4'-P energy: -54.714 tors. eta vs tors. theta energy: -37.017 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: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -671.780230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.780230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.780230 (E_RNA) where: Base-Base interactions energy: -384.255 where: short stacking energy: -176.069 Base-Backbone interact. energy: -4.643 local terms energy: -282.882928 where: bonds (distance) C4'-P energy: -75.991 bonds (distance) P-C4' energy: -82.942 flat angles C4'-P-C4' energy: -65.344 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -416.733458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.733458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.733458 (E_RNA) where: Base-Base interactions energy: -140.885 where: short stacking energy: -101.436 Base-Backbone interact. energy: 6.710 local terms energy: -282.558233 where: bonds (distance) C4'-P energy: -74.846 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -67.564 flat angles P-C4'-P energy: -45.033 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1386.705094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.705094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.705094 (E_RNA) where: Base-Base interactions energy: -899.130 where: short stacking energy: -432.012 Base-Backbone interact. energy: -3.859 local terms energy: -483.715435 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -103.105 flat angles C4'-P-C4' energy: -96.276 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -124.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1341.953120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.953120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.953120 (E_RNA) where: Base-Base interactions energy: -874.157 where: short stacking energy: -379.488 Base-Backbone interact. energy: -3.599 local terms energy: -464.197329 where: bonds (distance) C4'-P energy: -86.765 bonds (distance) P-C4' energy: -101.301 flat angles C4'-P-C4' energy: -98.298 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -104.175 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: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1189.740383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.740383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.740383 (E_RNA) where: Base-Base interactions energy: -743.551 where: short stacking energy: -371.908 Base-Backbone interact. energy: -1.797 local terms energy: -444.392610 where: bonds (distance) C4'-P energy: -90.977 bonds (distance) P-C4' energy: -88.860 flat angles C4'-P-C4' energy: -102.537 flat angles P-C4'-P energy: -56.073 tors. eta vs tors. theta energy: -105.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1077.881452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.881452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.881452 (E_RNA) where: Base-Base interactions energy: -679.998 where: short stacking energy: -340.208 Base-Backbone interact. energy: -2.847 local terms energy: -395.036495 where: bonds (distance) C4'-P energy: -74.528 bonds (distance) P-C4' energy: -76.270 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -74.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1034.336002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.336002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.336002 (E_RNA) where: Base-Base interactions energy: -652.843 where: short stacking energy: -274.379 Base-Backbone interact. energy: -1.810 local terms energy: -379.682582 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -91.425 flat angles C4'-P-C4' energy: -96.942 flat angles P-C4'-P energy: -62.228 tors. eta vs tors. theta energy: -59.994 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: 9 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -888.413011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.413011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.413011 (E_RNA) where: Base-Base interactions energy: -545.865 where: short stacking energy: -269.311 Base-Backbone interact. energy: -0.657 local terms energy: -341.891069 where: bonds (distance) C4'-P energy: -81.370 bonds (distance) P-C4' energy: -80.173 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -52.815 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: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -720.627072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.627072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.627072 (E_RNA) where: Base-Base interactions energy: -372.217 where: short stacking energy: -198.504 Base-Backbone interact. energy: -1.549 local terms energy: -346.861358 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -92.895 flat angles C4'-P-C4' energy: -72.915 flat angles P-C4'-P energy: -49.182 tors. eta vs tors. theta energy: -40.621 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: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -648.509643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.509643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.509643 (E_RNA) where: Base-Base interactions energy: -350.346 where: short stacking energy: -201.711 Base-Backbone interact. energy: 7.680 local terms energy: -305.843930 where: bonds (distance) C4'-P energy: -88.882 bonds (distance) P-C4' energy: -85.370 flat angles C4'-P-C4' energy: -83.994 flat angles P-C4'-P energy: -27.322 tors. eta vs tors. theta energy: -20.276 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: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -649.502302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.502302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.502302 (E_RNA) where: Base-Base interactions energy: -381.854 where: short stacking energy: -168.763 Base-Backbone interact. energy: 0.356 local terms energy: -268.005235 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -92.264 flat angles C4'-P-C4' energy: -63.639 flat angles P-C4'-P energy: -30.018 tors. eta vs tors. theta energy: -14.721 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: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -395.413127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.413127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.413127 (E_RNA) where: Base-Base interactions energy: -129.298 where: short stacking energy: -109.333 Base-Backbone interact. energy: -3.085 local terms energy: -263.029260 where: bonds (distance) C4'-P energy: -84.882 bonds (distance) P-C4' energy: -83.736 flat angles C4'-P-C4' energy: -51.197 flat angles P-C4'-P energy: -45.311 tors. eta vs tors. theta energy: 2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1397.613491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.613491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.613491 (E_RNA) where: Base-Base interactions energy: -896.477 where: short stacking energy: -416.633 Base-Backbone interact. energy: -2.633 local terms energy: -498.503040 where: bonds (distance) C4'-P energy: -102.359 bonds (distance) P-C4' energy: -98.432 flat angles C4'-P-C4' energy: -104.970 flat angles P-C4'-P energy: -73.019 tors. eta vs tors. theta energy: -119.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1380.407565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.407565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.407565 (E_RNA) where: Base-Base interactions energy: -926.752 where: short stacking energy: -413.989 Base-Backbone interact. energy: -4.045 local terms energy: -449.610643 where: bonds (distance) C4'-P energy: -85.696 bonds (distance) P-C4' energy: -96.063 flat angles C4'-P-C4' energy: -95.849 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: -109.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1182.549499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.549499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.549499 (E_RNA) where: Base-Base interactions energy: -743.047 where: short stacking energy: -368.268 Base-Backbone interact. energy: 2.773 local terms energy: -442.275018 where: bonds (distance) C4'-P energy: -97.496 bonds (distance) P-C4' energy: -97.088 flat angles C4'-P-C4' energy: -106.982 flat angles P-C4'-P energy: -53.963 tors. eta vs tors. theta energy: -86.748 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: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1044.026778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.026778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.026778 (E_RNA) where: Base-Base interactions energy: -651.008 where: short stacking energy: -320.081 Base-Backbone interact. energy: -2.179 local terms energy: -390.839412 where: bonds (distance) C4'-P energy: -86.325 bonds (distance) P-C4' energy: -89.621 flat angles C4'-P-C4' energy: -77.940 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -89.415 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1065.619778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.619778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.619778 (E_RNA) where: Base-Base interactions energy: -666.916 where: short stacking energy: -307.245 Base-Backbone interact. energy: -2.771 local terms energy: -395.933033 where: bonds (distance) C4'-P energy: -70.786 bonds (distance) P-C4' energy: -83.520 flat angles C4'-P-C4' energy: -94.759 flat angles P-C4'-P energy: -63.653 tors. eta vs tors. theta energy: -83.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -911.895402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.895402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.895402 (E_RNA) where: Base-Base interactions energy: -520.795 where: short stacking energy: -248.912 Base-Backbone interact. energy: -0.144 local terms energy: -390.956477 where: bonds (distance) C4'-P energy: -97.406 bonds (distance) P-C4' energy: -97.100 flat angles C4'-P-C4' energy: -99.863 flat angles P-C4'-P energy: -44.132 tors. eta vs tors. theta energy: -52.455 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: 74 Temperature: 1.200000 Total energy: -762.604851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.604851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.604851 (E_RNA) where: Base-Base interactions energy: -430.578 where: short stacking energy: -204.923 Base-Backbone interact. energy: -0.705 local terms energy: -331.322328 where: bonds (distance) C4'-P energy: -86.720 bonds (distance) P-C4' energy: -84.789 flat angles C4'-P-C4' energy: -82.107 flat angles P-C4'-P energy: -50.743 tors. eta vs tors. theta energy: -26.962 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: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -626.424018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.424018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.424018 (E_RNA) where: Base-Base interactions energy: -319.753 where: short stacking energy: -194.952 Base-Backbone interact. energy: -0.733 local terms energy: -305.938550 where: bonds (distance) C4'-P energy: -83.299 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -85.732 flat angles P-C4'-P energy: -44.067 tors. eta vs tors. theta energy: -25.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -607.680825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.680825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.680825 (E_RNA) where: Base-Base interactions energy: -309.212 where: short stacking energy: -153.526 Base-Backbone interact. energy: 0.454 local terms energy: -298.923085 where: bonds (distance) C4'-P energy: -91.719 bonds (distance) P-C4' energy: -71.414 flat angles C4'-P-C4' energy: -81.860 flat angles P-C4'-P energy: -42.349 tors. eta vs tors. theta energy: -11.580 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: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -409.000391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.000391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.000391 (E_RNA) where: Base-Base interactions energy: -135.179 where: short stacking energy: -109.840 Base-Backbone interact. energy: 1.479 local terms energy: -275.299861 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -68.814 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -44.650 tors. eta vs tors. theta energy: 2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1390.879953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.879953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.879953 (E_RNA) where: Base-Base interactions energy: -914.103 where: short stacking energy: -422.394 Base-Backbone interact. energy: -1.396 local terms energy: -475.380235 where: bonds (distance) C4'-P energy: -102.520 bonds (distance) P-C4' energy: -102.167 flat angles C4'-P-C4' energy: -96.104 flat angles P-C4'-P energy: -61.972 tors. eta vs tors. theta energy: -112.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1379.259675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.259675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.259675 (E_RNA) where: Base-Base interactions energy: -922.738 where: short stacking energy: -405.178 Base-Backbone interact. energy: -1.919 local terms energy: -454.602722 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -104.748 flat angles C4'-P-C4' energy: -96.226 flat angles P-C4'-P energy: -62.452 tors. eta vs tors. theta energy: -104.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1162.772862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.772862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.772862 (E_RNA) where: Base-Base interactions energy: -721.421 where: short stacking energy: -348.132 Base-Backbone interact. energy: -0.889 local terms energy: -440.462352 where: bonds (distance) C4'-P energy: -95.502 bonds (distance) P-C4' energy: -94.983 flat angles C4'-P-C4' energy: -90.735 flat angles P-C4'-P energy: -67.426 tors. eta vs tors. theta energy: -91.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1053.762336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.762336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.762336 (E_RNA) where: Base-Base interactions energy: -650.161 where: short stacking energy: -266.744 Base-Backbone interact. energy: 1.762 local terms energy: -405.363117 where: bonds (distance) C4'-P energy: -90.042 bonds (distance) P-C4' energy: -91.904 flat angles C4'-P-C4' energy: -90.660 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -61.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1045.836328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.836328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.836328 (E_RNA) where: Base-Base interactions energy: -648.835 where: short stacking energy: -278.542 Base-Backbone interact. energy: -2.677 local terms energy: -394.323594 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -84.913 flat angles C4'-P-C4' energy: -98.618 flat angles P-C4'-P energy: -54.883 tors. eta vs tors. theta energy: -65.106 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: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -972.300997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.300997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.300997 (E_RNA) where: Base-Base interactions energy: -571.047 where: short stacking energy: -284.162 Base-Backbone interact. energy: 0.098 local terms energy: -401.351809 where: bonds (distance) C4'-P energy: -91.056 bonds (distance) P-C4' energy: -85.241 flat angles C4'-P-C4' energy: -89.752 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -63.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -721.450417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.450417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.450417 (E_RNA) where: Base-Base interactions energy: -413.717 where: short stacking energy: -200.803 Base-Backbone interact. energy: -1.302 local terms energy: -306.431488 where: bonds (distance) C4'-P energy: -79.027 bonds (distance) P-C4' energy: -77.836 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -58.577 tors. eta vs tors. theta energy: -22.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -652.536240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.536240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.536240 (E_RNA) where: Base-Base interactions energy: -357.173 where: short stacking energy: -182.273 Base-Backbone interact. energy: -1.856 local terms energy: -293.507064 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -94.008 flat angles C4'-P-C4' energy: -70.052 flat angles P-C4'-P energy: -39.799 tors. eta vs tors. theta energy: 0.673 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: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -574.662928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.662928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.662928 (E_RNA) where: Base-Base interactions energy: -299.452 where: short stacking energy: -171.336 Base-Backbone interact. energy: 1.013 local terms energy: -276.223723 where: bonds (distance) C4'-P energy: -84.526 bonds (distance) P-C4' energy: -78.476 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -48.899 tors. eta vs tors. theta energy: 6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -374.820228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.820228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.820228 (E_RNA) where: Base-Base interactions energy: -114.532 where: short stacking energy: -93.710 Base-Backbone interact. energy: 0.809 local terms energy: -261.096995 where: bonds (distance) C4'-P energy: -69.756 bonds (distance) P-C4' energy: -91.205 flat angles C4'-P-C4' energy: -59.346 flat angles P-C4'-P energy: -48.168 tors. eta vs tors. theta energy: 7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1394.029799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.029799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.029799 (E_RNA) where: Base-Base interactions energy: -920.950 where: short stacking energy: -451.977 Base-Backbone interact. energy: -4.050 local terms energy: -469.029396 where: bonds (distance) C4'-P energy: -90.664 bonds (distance) P-C4' energy: -101.993 flat angles C4'-P-C4' energy: -87.186 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -120.576 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: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1319.278418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.278418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.278418 (E_RNA) where: Base-Base interactions energy: -849.770 where: short stacking energy: -383.607 Base-Backbone interact. energy: -5.020 local terms energy: -464.488279 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -88.741 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -102.904 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: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1202.294833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.294833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.294833 (E_RNA) where: Base-Base interactions energy: -758.533 where: short stacking energy: -388.165 Base-Backbone interact. energy: -4.149 local terms energy: -439.613649 where: bonds (distance) C4'-P energy: -88.686 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -97.195 flat angles P-C4'-P energy: -62.457 tors. eta vs tors. theta energy: -103.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1061.674025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.674025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.674025 (E_RNA) where: Base-Base interactions energy: -643.241 where: short stacking energy: -321.034 Base-Backbone interact. energy: -2.904 local terms energy: -415.528341 where: bonds (distance) C4'-P energy: -97.910 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -91.892 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -75.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -974.303859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.303859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.303859 (E_RNA) where: Base-Base interactions energy: -585.254 where: short stacking energy: -293.123 Base-Backbone interact. energy: 0.109 local terms energy: -389.158443 where: bonds (distance) C4'-P energy: -90.317 bonds (distance) P-C4' energy: -79.409 flat angles C4'-P-C4' energy: -98.460 flat angles P-C4'-P energy: -51.009 tors. eta vs tors. theta energy: -69.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -984.102851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.102851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.102851 (E_RNA) where: Base-Base interactions energy: -598.394 where: short stacking energy: -276.161 Base-Backbone interact. energy: -1.658 local terms energy: -384.050872 where: bonds (distance) C4'-P energy: -81.982 bonds (distance) P-C4' energy: -94.754 flat angles C4'-P-C4' energy: -82.326 flat angles P-C4'-P energy: -58.136 tors. eta vs tors. theta energy: -66.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -700.984309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.984309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.984309 (E_RNA) where: Base-Base interactions energy: -394.316 where: short stacking energy: -217.931 Base-Backbone interact. energy: 0.146 local terms energy: -306.814894 where: bonds (distance) C4'-P energy: -85.246 bonds (distance) P-C4' energy: -97.482 flat angles C4'-P-C4' energy: -69.092 flat angles P-C4'-P energy: -27.921 tors. eta vs tors. theta energy: -27.075 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: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -613.717865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.717865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.717865 (E_RNA) where: Base-Base interactions energy: -305.670 where: short stacking energy: -157.822 Base-Backbone interact. energy: -1.848 local terms energy: -306.200372 where: bonds (distance) C4'-P energy: -80.562 bonds (distance) P-C4' energy: -87.744 flat angles C4'-P-C4' energy: -78.845 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -529.325891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.325891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.325891 (E_RNA) where: Base-Base interactions energy: -266.990 where: short stacking energy: -140.869 Base-Backbone interact. energy: 0.274 local terms energy: -262.609695 where: bonds (distance) C4'-P energy: -65.643 bonds (distance) P-C4' energy: -79.181 flat angles C4'-P-C4' energy: -82.716 flat angles P-C4'-P energy: -37.398 tors. eta vs tors. theta energy: 2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -354.292634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.292634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.292634 (E_RNA) where: Base-Base interactions energy: -97.030 where: short stacking energy: -81.828 Base-Backbone interact. energy: 0.776 local terms energy: -258.038056 where: bonds (distance) C4'-P energy: -88.786 bonds (distance) P-C4' energy: -78.187 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: 14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1366.179088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.179088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.179088 (E_RNA) where: Base-Base interactions energy: -877.538 where: short stacking energy: -424.503 Base-Backbone interact. energy: -4.732 local terms energy: -483.908943 where: bonds (distance) C4'-P energy: -84.345 bonds (distance) P-C4' energy: -87.306 flat angles C4'-P-C4' energy: -105.760 flat angles P-C4'-P energy: -80.849 tors. eta vs tors. theta energy: -125.649 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: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1365.135559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.135559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.135559 (E_RNA) where: Base-Base interactions energy: -909.640 where: short stacking energy: -419.642 Base-Backbone interact. energy: -2.538 local terms energy: -452.957368 where: bonds (distance) C4'-P energy: -90.622 bonds (distance) P-C4' energy: -89.575 flat angles C4'-P-C4' energy: -96.161 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -117.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1212.253608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.253608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.253608 (E_RNA) where: Base-Base interactions energy: -766.820 where: short stacking energy: -331.170 Base-Backbone interact. energy: -0.118 local terms energy: -445.315551 where: bonds (distance) C4'-P energy: -89.214 bonds (distance) P-C4' energy: -98.708 flat angles C4'-P-C4' energy: -98.711 flat angles P-C4'-P energy: -65.364 tors. eta vs tors. theta energy: -93.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1071.019009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.019009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.019009 (E_RNA) where: Base-Base interactions energy: -688.273 where: short stacking energy: -321.347 Base-Backbone interact. energy: 3.740 local terms energy: -386.486626 where: bonds (distance) C4'-P energy: -97.146 bonds (distance) P-C4' energy: -77.237 flat angles C4'-P-C4' energy: -83.589 flat angles P-C4'-P energy: -56.204 tors. eta vs tors. theta energy: -72.310 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: 5, replica: 9 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -946.670280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.670280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.670280 (E_RNA) where: Base-Base interactions energy: -559.813 where: short stacking energy: -270.769 Base-Backbone interact. energy: -0.372 local terms energy: -386.484995 where: bonds (distance) C4'-P energy: -79.266 bonds (distance) P-C4' energy: -89.791 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: -61.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1068.585151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.585151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.585151 (E_RNA) where: Base-Base interactions energy: -697.568 where: short stacking energy: -327.807 Base-Backbone interact. energy: 4.618 local terms energy: -375.634794 where: bonds (distance) C4'-P energy: -80.979 bonds (distance) P-C4' energy: -76.103 flat angles C4'-P-C4' energy: -89.596 flat angles P-C4'-P energy: -47.144 tors. eta vs tors. theta energy: -81.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -753.928806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.928806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.928806 (E_RNA) where: Base-Base interactions energy: -402.748 where: short stacking energy: -232.068 Base-Backbone interact. energy: -0.786 local terms energy: -350.394702 where: bonds (distance) C4'-P energy: -89.737 bonds (distance) P-C4' energy: -80.824 flat angles C4'-P-C4' energy: -85.103 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -39.833 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: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -652.785979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.785979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.785979 (E_RNA) where: Base-Base interactions energy: -329.569 where: short stacking energy: -195.914 Base-Backbone interact. energy: -0.683 local terms energy: -322.533969 where: bonds (distance) C4'-P energy: -89.775 bonds (distance) P-C4' energy: -89.429 flat angles C4'-P-C4' energy: -92.345 flat angles P-C4'-P energy: -27.534 tors. eta vs tors. theta energy: -23.450 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: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -499.978124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.978124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.978124 (E_RNA) where: Base-Base interactions energy: -232.625 where: short stacking energy: -135.222 Base-Backbone interact. energy: -0.303 local terms energy: -267.049969 where: bonds (distance) C4'-P energy: -77.610 bonds (distance) P-C4' energy: -83.209 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -43.492 tors. eta vs tors. theta energy: 4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -367.535623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.535623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.535623 (E_RNA) where: Base-Base interactions energy: -137.139 where: short stacking energy: -105.817 Base-Backbone interact. energy: -1.953 local terms energy: -228.443292 where: bonds (distance) C4'-P energy: -74.145 bonds (distance) P-C4' energy: -76.112 flat angles C4'-P-C4' energy: -70.779 flat angles P-C4'-P energy: -25.909 tors. eta vs tors. theta energy: 18.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1398.719764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.719764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.719764 (E_RNA) where: Base-Base interactions energy: -915.381 where: short stacking energy: -443.072 Base-Backbone interact. energy: -0.875 local terms energy: -482.463344 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -96.378 flat angles C4'-P-C4' energy: -101.431 flat angles P-C4'-P energy: -71.105 tors. eta vs tors. theta energy: -119.750 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: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1333.967266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.967266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.967266 (E_RNA) where: Base-Base interactions energy: -860.990 where: short stacking energy: -427.279 Base-Backbone interact. energy: -1.622 local terms energy: -471.355353 where: bonds (distance) C4'-P energy: -90.009 bonds (distance) P-C4' energy: -99.123 flat angles C4'-P-C4' energy: -104.558 flat angles P-C4'-P energy: -67.708 tors. eta vs tors. theta energy: -109.959 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: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1238.410756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.410756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.410756 (E_RNA) where: Base-Base interactions energy: -791.100 where: short stacking energy: -381.777 Base-Backbone interact. energy: -4.953 local terms energy: -442.358126 where: bonds (distance) C4'-P energy: -91.996 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -98.368 flat angles P-C4'-P energy: -59.145 tors. eta vs tors. theta energy: -102.871 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: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1052.414714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.414714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.414714 (E_RNA) where: Base-Base interactions energy: -638.534 where: short stacking energy: -313.749 Base-Backbone interact. energy: -4.783 local terms energy: -409.098497 where: bonds (distance) C4'-P energy: -95.322 bonds (distance) P-C4' energy: -97.916 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: -61.925 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: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -999.069360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.069360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.069360 (E_RNA) where: Base-Base interactions energy: -611.736 where: short stacking energy: -309.000 Base-Backbone interact. energy: 0.958 local terms energy: -388.291026 where: bonds (distance) C4'-P energy: -97.824 bonds (distance) P-C4' energy: -87.998 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -75.442 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: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1057.615287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.615287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.615287 (E_RNA) where: Base-Base interactions energy: -670.378 where: short stacking energy: -326.619 Base-Backbone interact. energy: -1.519 local terms energy: -385.717873 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -78.493 flat angles C4'-P-C4' energy: -98.299 flat angles P-C4'-P energy: -50.853 tors. eta vs tors. theta energy: -80.008 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: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -719.630217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.630217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.630217 (E_RNA) where: Base-Base interactions energy: -414.464 where: short stacking energy: -207.939 Base-Backbone interact. energy: -0.177 local terms energy: -304.989158 where: bonds (distance) C4'-P energy: -77.359 bonds (distance) P-C4' energy: -76.218 flat angles C4'-P-C4' energy: -75.452 flat angles P-C4'-P energy: -43.130 tors. eta vs tors. theta energy: -32.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -661.319116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.319116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.319116 (E_RNA) where: Base-Base interactions energy: -351.663 where: short stacking energy: -184.904 Base-Backbone interact. energy: 3.377 local terms energy: -313.033203 where: bonds (distance) C4'-P energy: -65.974 bonds (distance) P-C4' energy: -83.182 flat angles C4'-P-C4' energy: -73.673 flat angles P-C4'-P energy: -58.026 tors. eta vs tors. theta energy: -32.178 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: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -474.337147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.337147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.337147 (E_RNA) where: Base-Base interactions energy: -203.718 where: short stacking energy: -115.764 Base-Backbone interact. energy: 2.236 local terms energy: -272.855772 where: bonds (distance) C4'-P energy: -88.809 bonds (distance) P-C4' energy: -79.462 flat angles C4'-P-C4' energy: -62.960 flat angles P-C4'-P energy: -42.661 tors. eta vs tors. theta energy: 1.037 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: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -402.183523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.183523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.183523 (E_RNA) where: Base-Base interactions energy: -153.965 where: short stacking energy: -118.592 Base-Backbone interact. energy: -1.083 local terms energy: -247.135711 where: bonds (distance) C4'-P energy: -81.453 bonds (distance) P-C4' energy: -78.471 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: 17.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1425.369741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.369741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.369741 (E_RNA) where: Base-Base interactions energy: -928.747 where: short stacking energy: -438.724 Base-Backbone interact. energy: -4.840 local terms energy: -491.782066 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -91.199 flat angles C4'-P-C4' energy: -104.047 flat angles P-C4'-P energy: -79.954 tors. eta vs tors. theta energy: -122.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1323.158870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.158870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.158870 (E_RNA) where: Base-Base interactions energy: -842.110 where: short stacking energy: -379.526 Base-Backbone interact. energy: -6.069 local terms energy: -474.979692 where: bonds (distance) C4'-P energy: -96.543 bonds (distance) P-C4' energy: -90.161 flat angles C4'-P-C4' energy: -106.711 flat angles P-C4'-P energy: -69.147 tors. eta vs tors. theta energy: -112.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1225.717673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.717673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.717673 (E_RNA) where: Base-Base interactions energy: -761.949 where: short stacking energy: -360.991 Base-Backbone interact. energy: -2.799 local terms energy: -460.968849 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -100.814 flat angles C4'-P-C4' energy: -96.978 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -99.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1018.493396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.493396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.493396 (E_RNA) where: Base-Base interactions energy: -624.781 where: short stacking energy: -310.253 Base-Backbone interact. energy: -0.079 local terms energy: -393.633712 where: bonds (distance) C4'-P energy: -81.943 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -93.850 flat angles P-C4'-P energy: -66.697 tors. eta vs tors. theta energy: -67.742 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: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -970.298903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.298903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.298903 (E_RNA) where: Base-Base interactions energy: -591.215 where: short stacking energy: -277.891 Base-Backbone interact. energy: -0.136 local terms energy: -378.947781 where: bonds (distance) C4'-P energy: -76.596 bonds (distance) P-C4' energy: -88.642 flat angles C4'-P-C4' energy: -92.025 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -52.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1020.443799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.443799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.443799 (E_RNA) where: Base-Base interactions energy: -657.249 where: short stacking energy: -302.266 Base-Backbone interact. energy: -5.385 local terms energy: -357.809173 where: bonds (distance) C4'-P energy: -66.113 bonds (distance) P-C4' energy: -79.472 flat angles C4'-P-C4' energy: -88.944 flat angles P-C4'-P energy: -53.769 tors. eta vs tors. theta energy: -69.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -746.931433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.931433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.931433 (E_RNA) where: Base-Base interactions energy: -375.880 where: short stacking energy: -210.536 Base-Backbone interact. energy: 0.262 local terms energy: -371.313726 where: bonds (distance) C4'-P energy: -100.541 bonds (distance) P-C4' energy: -94.126 flat angles C4'-P-C4' energy: -91.164 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: -35.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -657.430817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.430817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.430817 (E_RNA) where: Base-Base interactions energy: -338.436 where: short stacking energy: -198.832 Base-Backbone interact. energy: 1.588 local terms energy: -320.583317 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -78.132 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -50.405 tors. eta vs tors. theta energy: -20.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -513.001493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.001493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.001493 (E_RNA) where: Base-Base interactions energy: -227.120 where: short stacking energy: -134.242 Base-Backbone interact. energy: 0.938 local terms energy: -286.819320 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -91.946 flat angles P-C4'-P energy: -47.717 tors. eta vs tors. theta energy: 0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -375.223361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.223361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.223361 (E_RNA) where: Base-Base interactions energy: -140.869 where: short stacking energy: -134.734 Base-Backbone interact. energy: -0.630 local terms energy: -233.724975 where: bonds (distance) C4'-P energy: -82.662 bonds (distance) P-C4' energy: -69.683 flat angles C4'-P-C4' energy: -53.640 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: 11.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1402.142580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.142580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.142580 (E_RNA) where: Base-Base interactions energy: -918.277 where: short stacking energy: -430.622 Base-Backbone interact. energy: -0.921 local terms energy: -482.944165 where: bonds (distance) C4'-P energy: -90.880 bonds (distance) P-C4' energy: -102.417 flat angles C4'-P-C4' energy: -103.820 flat angles P-C4'-P energy: -68.330 tors. eta vs tors. theta energy: -117.498 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: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1316.313794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.313794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.313794 (E_RNA) where: Base-Base interactions energy: -842.504 where: short stacking energy: -392.399 Base-Backbone interact. energy: -0.655 local terms energy: -473.154449 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -109.477 flat angles C4'-P-C4' energy: -108.715 flat angles P-C4'-P energy: -58.403 tors. eta vs tors. theta energy: -110.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1214.900939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.900939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.900939 (E_RNA) where: Base-Base interactions energy: -771.388 where: short stacking energy: -361.192 Base-Backbone interact. energy: -0.789 local terms energy: -442.723718 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -99.709 flat angles C4'-P-C4' energy: -89.870 flat angles P-C4'-P energy: -66.642 tors. eta vs tors. theta energy: -97.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1047.216083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.216083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.216083 (E_RNA) where: Base-Base interactions energy: -648.322 where: short stacking energy: -306.376 Base-Backbone interact. energy: 5.207 local terms energy: -404.100904 where: bonds (distance) C4'-P energy: -95.105 bonds (distance) P-C4' energy: -84.293 flat angles C4'-P-C4' energy: -102.729 flat angles P-C4'-P energy: -57.100 tors. eta vs tors. theta energy: -64.875 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: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1036.123821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.123821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.123821 (E_RNA) where: Base-Base interactions energy: -633.191 where: short stacking energy: -291.276 Base-Backbone interact. energy: -3.197 local terms energy: -399.735602 where: bonds (distance) C4'-P energy: -85.024 bonds (distance) P-C4' energy: -95.845 flat angles C4'-P-C4' energy: -99.651 flat angles P-C4'-P energy: -57.854 tors. eta vs tors. theta energy: -61.363 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: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -932.171326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.171326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.171326 (E_RNA) where: Base-Base interactions energy: -582.113 where: short stacking energy: -300.958 Base-Backbone interact. energy: -2.009 local terms energy: -348.049349 where: bonds (distance) C4'-P energy: -79.018 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -88.313 flat angles P-C4'-P energy: -33.420 tors. eta vs tors. theta energy: -74.048 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: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -718.843997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.843997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.843997 (E_RNA) where: Base-Base interactions energy: -373.813 where: short stacking energy: -191.950 Base-Backbone interact. energy: -1.417 local terms energy: -343.614109 where: bonds (distance) C4'-P energy: -71.462 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -76.375 flat angles P-C4'-P energy: -59.406 tors. eta vs tors. theta energy: -45.341 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: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -695.086132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.086132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.086132 (E_RNA) where: Base-Base interactions energy: -378.036 where: short stacking energy: -205.668 Base-Backbone interact. energy: 2.734 local terms energy: -319.783486 where: bonds (distance) C4'-P energy: -72.428 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -86.526 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: -28.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -518.564009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.564009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.564009 (E_RNA) where: Base-Base interactions energy: -255.982 where: short stacking energy: -147.880 Base-Backbone interact. energy: 1.028 local terms energy: -263.609822 where: bonds (distance) C4'-P energy: -78.845 bonds (distance) P-C4' energy: -63.521 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -360.273088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.273088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.273088 (E_RNA) where: Base-Base interactions energy: -130.579 where: short stacking energy: -116.841 Base-Backbone interact. energy: 6.665 local terms energy: -236.358373 where: bonds (distance) C4'-P energy: -80.962 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -75.395 flat angles P-C4'-P energy: -22.203 tors. eta vs tors. theta energy: 14.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1416.480275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.480275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.480275 (E_RNA) where: Base-Base interactions energy: -911.285 where: short stacking energy: -418.367 Base-Backbone interact. energy: -1.554 local terms energy: -503.641393 where: bonds (distance) C4'-P energy: -88.284 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -103.193 flat angles P-C4'-P energy: -77.602 tors. eta vs tors. theta energy: -125.345 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: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1324.301393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.301393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.301393 (E_RNA) where: Base-Base interactions energy: -854.335 where: short stacking energy: -396.260 Base-Backbone interact. energy: -2.210 local terms energy: -467.757009 where: bonds (distance) C4'-P energy: -98.006 bonds (distance) P-C4' energy: -99.343 flat angles C4'-P-C4' energy: -99.531 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -102.490 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: 3, replica: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1221.314571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.314571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.314571 (E_RNA) where: Base-Base interactions energy: -768.918 where: short stacking energy: -368.872 Base-Backbone interact. energy: -2.038 local terms energy: -450.358668 where: bonds (distance) C4'-P energy: -93.618 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -94.356 flat angles P-C4'-P energy: -81.845 tors. eta vs tors. theta energy: -94.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1109.948471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.948471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.948471 (E_RNA) where: Base-Base interactions energy: -714.472 where: short stacking energy: -350.324 Base-Backbone interact. energy: -1.910 local terms energy: -393.566181 where: bonds (distance) C4'-P energy: -73.780 bonds (distance) P-C4' energy: -87.406 flat angles C4'-P-C4' energy: -92.729 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -86.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -984.599805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.599805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.599805 (E_RNA) where: Base-Base interactions energy: -596.425 where: short stacking energy: -281.226 Base-Backbone interact. energy: -1.368 local terms energy: -386.806347 where: bonds (distance) C4'-P energy: -72.434 bonds (distance) P-C4' energy: -97.808 flat angles C4'-P-C4' energy: -90.366 flat angles P-C4'-P energy: -62.744 tors. eta vs tors. theta energy: -63.454 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: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -893.835159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.835159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.835159 (E_RNA) where: Base-Base interactions energy: -552.490 where: short stacking energy: -272.006 Base-Backbone interact. energy: -1.915 local terms energy: -339.429625 where: bonds (distance) C4'-P energy: -87.532 bonds (distance) P-C4' energy: -79.236 flat angles C4'-P-C4' energy: -64.185 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -51.767 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: 81 Temperature: 1.200000 Total energy: -707.417090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.417090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.417090 (E_RNA) where: Base-Base interactions energy: -375.082 where: short stacking energy: -223.613 Base-Backbone interact. energy: 1.396 local terms energy: -333.730990 where: bonds (distance) C4'-P energy: -87.952 bonds (distance) P-C4' energy: -86.715 flat angles C4'-P-C4' energy: -78.963 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -28.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -688.874514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.874514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.874514 (E_RNA) where: Base-Base interactions energy: -374.820 where: short stacking energy: -194.499 Base-Backbone interact. energy: 5.529 local terms energy: -319.583958 where: bonds (distance) C4'-P energy: -81.082 bonds (distance) P-C4' energy: -91.708 flat angles C4'-P-C4' energy: -68.484 flat angles P-C4'-P energy: -54.562 tors. eta vs tors. theta energy: -23.748 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: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -539.437172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.437172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.437172 (E_RNA) where: Base-Base interactions energy: -256.857 where: short stacking energy: -160.708 Base-Backbone interact. energy: -2.022 local terms energy: -280.558252 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -75.934 flat angles P-C4'-P energy: -52.318 tors. eta vs tors. theta energy: -8.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -377.041079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.041079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.041079 (E_RNA) where: Base-Base interactions energy: -129.537 where: short stacking energy: -100.317 Base-Backbone interact. energy: -1.287 local terms energy: -246.217088 where: bonds (distance) C4'-P energy: -87.833 bonds (distance) P-C4' energy: -84.681 flat angles C4'-P-C4' energy: -56.754 flat angles P-C4'-P energy: -42.611 tors. eta vs tors. theta energy: 25.663 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: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1469.842567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.842567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.842567 (E_RNA) where: Base-Base interactions energy: -963.571 where: short stacking energy: -460.171 Base-Backbone interact. energy: -5.694 local terms energy: -500.577530 where: bonds (distance) C4'-P energy: -88.004 bonds (distance) P-C4' energy: -88.468 flat angles C4'-P-C4' energy: -110.385 flat angles P-C4'-P energy: -77.285 tors. eta vs tors. theta energy: -136.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1334.993553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.993553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.993553 (E_RNA) where: Base-Base interactions energy: -860.215 where: short stacking energy: -391.107 Base-Backbone interact. energy: -5.014 local terms energy: -469.765119 where: bonds (distance) C4'-P energy: -101.001 bonds (distance) P-C4' energy: -100.882 flat angles C4'-P-C4' energy: -103.414 flat angles P-C4'-P energy: -58.006 tors. eta vs tors. theta energy: -106.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1258.802692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.802692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.802692 (E_RNA) where: Base-Base interactions energy: -792.748 where: short stacking energy: -391.998 Base-Backbone interact. energy: -1.566 local terms energy: -464.489116 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -93.414 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -66.257 tors. eta vs tors. theta energy: -109.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1134.857019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.857019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.857019 (E_RNA) where: Base-Base interactions energy: -718.831 where: short stacking energy: -352.948 Base-Backbone interact. energy: 0.080 local terms energy: -416.106215 where: bonds (distance) C4'-P energy: -80.884 bonds (distance) P-C4' energy: -81.404 flat angles C4'-P-C4' energy: -94.471 flat angles P-C4'-P energy: -65.323 tors. eta vs tors. theta energy: -94.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -921.333763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.333763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.333763 (E_RNA) where: Base-Base interactions energy: -530.105 where: short stacking energy: -274.661 Base-Backbone interact. energy: 2.656 local terms energy: -393.885519 where: bonds (distance) C4'-P energy: -95.848 bonds (distance) P-C4' energy: -85.758 flat angles C4'-P-C4' energy: -96.007 flat angles P-C4'-P energy: -52.163 tors. eta vs tors. theta energy: -64.110 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: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -955.099380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.099380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.099380 (E_RNA) where: Base-Base interactions energy: -574.644 where: short stacking energy: -266.111 Base-Backbone interact. energy: 1.022 local terms energy: -381.477383 where: bonds (distance) C4'-P energy: -83.518 bonds (distance) P-C4' energy: -86.834 flat angles C4'-P-C4' energy: -93.396 flat angles P-C4'-P energy: -63.284 tors. eta vs tors. theta energy: -54.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -716.002708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.002708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.002708 (E_RNA) where: Base-Base interactions energy: -379.703 where: short stacking energy: -212.727 Base-Backbone interact. energy: 0.596 local terms energy: -336.894986 where: bonds (distance) C4'-P energy: -84.645 bonds (distance) P-C4' energy: -86.445 flat angles C4'-P-C4' energy: -73.079 flat angles P-C4'-P energy: -57.410 tors. eta vs tors. theta energy: -35.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -760.422448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.422448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.422448 (E_RNA) where: Base-Base interactions energy: -421.789 where: short stacking energy: -235.582 Base-Backbone interact. energy: -1.102 local terms energy: -337.530646 where: bonds (distance) C4'-P energy: -74.176 bonds (distance) P-C4' energy: -72.127 flat angles C4'-P-C4' energy: -81.255 flat angles P-C4'-P energy: -59.502 tors. eta vs tors. theta energy: -50.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -571.161241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.161241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.161241 (E_RNA) where: Base-Base interactions energy: -293.920 where: short stacking energy: -181.184 Base-Backbone interact. energy: -2.778 local terms energy: -274.463275 where: bonds (distance) C4'-P energy: -65.684 bonds (distance) P-C4' energy: -86.575 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -35.567 tors. eta vs tors. theta energy: -13.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -383.508016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.508016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.508016 (E_RNA) where: Base-Base interactions energy: -118.604 where: short stacking energy: -94.254 Base-Backbone interact. energy: 2.297 local terms energy: -267.201638 where: bonds (distance) C4'-P energy: -79.371 bonds (distance) P-C4' energy: -83.462 flat angles C4'-P-C4' energy: -60.874 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: 1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1434.490806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.490806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.490806 (E_RNA) where: Base-Base interactions energy: -931.188 where: short stacking energy: -435.253 Base-Backbone interact. energy: -4.822 local terms energy: -498.480461 where: bonds (distance) C4'-P energy: -87.178 bonds (distance) P-C4' energy: -103.707 flat angles C4'-P-C4' energy: -116.685 flat angles P-C4'-P energy: -71.234 tors. eta vs tors. theta energy: -119.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1302.995328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.995328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.995328 (E_RNA) where: Base-Base interactions energy: -821.826 where: short stacking energy: -386.126 Base-Backbone interact. energy: -3.234 local terms energy: -477.935127 where: bonds (distance) C4'-P energy: -93.593 bonds (distance) P-C4' energy: -107.060 flat angles C4'-P-C4' energy: -100.980 flat angles P-C4'-P energy: -80.874 tors. eta vs tors. theta energy: -95.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1256.411887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.411887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.411887 (E_RNA) where: Base-Base interactions energy: -807.665 where: short stacking energy: -379.730 Base-Backbone interact. energy: -1.353 local terms energy: -447.394172 where: bonds (distance) C4'-P energy: -84.868 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -101.261 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -101.593 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1139.662199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.662199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.662199 (E_RNA) where: Base-Base interactions energy: -721.426 where: short stacking energy: -347.885 Base-Backbone interact. energy: -1.585 local terms energy: -416.651622 where: bonds (distance) C4'-P energy: -91.687 bonds (distance) P-C4' energy: -92.820 flat angles C4'-P-C4' energy: -92.155 flat angles P-C4'-P energy: -57.480 tors. eta vs tors. theta energy: -82.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -950.837761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.837761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.837761 (E_RNA) where: Base-Base interactions energy: -553.884 where: short stacking energy: -276.899 Base-Backbone interact. energy: -3.602 local terms energy: -393.351736 where: bonds (distance) C4'-P energy: -90.551 bonds (distance) P-C4' energy: -91.234 flat angles C4'-P-C4' energy: -98.637 flat angles P-C4'-P energy: -58.509 tors. eta vs tors. theta energy: -54.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1003.346507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.346507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.346507 (E_RNA) where: Base-Base interactions energy: -611.988 where: short stacking energy: -290.988 Base-Backbone interact. energy: -2.213 local terms energy: -389.145916 where: bonds (distance) C4'-P energy: -81.867 bonds (distance) P-C4' energy: -92.435 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -47.996 tors. eta vs tors. theta energy: -81.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -743.778709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.778709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.778709 (E_RNA) where: Base-Base interactions energy: -381.305 where: short stacking energy: -216.473 Base-Backbone interact. energy: 1.968 local terms energy: -364.441652 where: bonds (distance) C4'-P energy: -88.207 bonds (distance) P-C4' energy: -91.791 flat angles C4'-P-C4' energy: -79.958 flat angles P-C4'-P energy: -62.726 tors. eta vs tors. theta energy: -41.759 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: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -684.743132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.743132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.743132 (E_RNA) where: Base-Base interactions energy: -365.549 where: short stacking energy: -190.562 Base-Backbone interact. energy: -2.792 local terms energy: -316.402322 where: bonds (distance) C4'-P energy: -86.659 bonds (distance) P-C4' energy: -86.528 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -26.060 tors. eta vs tors. theta energy: -30.969 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: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -552.132794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.132794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.132794 (E_RNA) where: Base-Base interactions energy: -262.598 where: short stacking energy: -149.150 Base-Backbone interact. energy: 1.179 local terms energy: -290.713894 where: bonds (distance) C4'-P energy: -69.143 bonds (distance) P-C4' energy: -88.898 flat angles C4'-P-C4' energy: -93.965 flat angles P-C4'-P energy: -37.868 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -408.524839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.524839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.524839 (E_RNA) where: Base-Base interactions energy: -133.135 where: short stacking energy: -118.375 Base-Backbone interact. energy: 1.034 local terms energy: -276.423559 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -79.330 flat angles P-C4'-P energy: -50.111 tors. eta vs tors. theta energy: -11.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1469.121391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.121391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.121391 (E_RNA) where: Base-Base interactions energy: -978.380 where: short stacking energy: -446.495 Base-Backbone interact. energy: -4.735 local terms energy: -486.006629 where: bonds (distance) C4'-P energy: -82.253 bonds (distance) P-C4' energy: -103.354 flat angles C4'-P-C4' energy: -103.284 flat angles P-C4'-P energy: -75.276 tors. eta vs tors. theta energy: -121.839 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: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1293.951653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.951653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.951653 (E_RNA) where: Base-Base interactions energy: -855.279 where: short stacking energy: -386.895 Base-Backbone interact. energy: 3.542 local terms energy: -442.214909 where: bonds (distance) C4'-P energy: -87.950 bonds (distance) P-C4' energy: -92.557 flat angles C4'-P-C4' energy: -102.292 flat angles P-C4'-P energy: -62.999 tors. eta vs tors. theta energy: -96.417 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: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1250.481861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.481861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.481861 (E_RNA) where: Base-Base interactions energy: -807.136 where: short stacking energy: -381.493 Base-Backbone interact. energy: -2.269 local terms energy: -441.076478 where: bonds (distance) C4'-P energy: -80.879 bonds (distance) P-C4' energy: -100.246 flat angles C4'-P-C4' energy: -90.352 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -104.926 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: 4, replica: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1068.606194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.606194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.606194 (E_RNA) where: Base-Base interactions energy: -677.456 where: short stacking energy: -310.152 Base-Backbone interact. energy: -2.819 local terms energy: -388.330956 where: bonds (distance) C4'-P energy: -86.750 bonds (distance) P-C4' energy: -96.835 flat angles C4'-P-C4' energy: -83.110 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: -67.614 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: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -984.521206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.521206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.521206 (E_RNA) where: Base-Base interactions energy: -600.349 where: short stacking energy: -297.267 Base-Backbone interact. energy: 2.257 local terms energy: -386.428857 where: bonds (distance) C4'-P energy: -83.658 bonds (distance) P-C4' energy: -90.820 flat angles C4'-P-C4' energy: -97.535 flat angles P-C4'-P energy: -40.823 tors. eta vs tors. theta energy: -73.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -862.638644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.638644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.638644 (E_RNA) where: Base-Base interactions energy: -501.021 where: short stacking energy: -264.029 Base-Backbone interact. energy: -2.318 local terms energy: -359.300421 where: bonds (distance) C4'-P energy: -79.333 bonds (distance) P-C4' energy: -86.847 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -58.151 tors. eta vs tors. theta energy: -45.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -746.400027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.400027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.400027 (E_RNA) where: Base-Base interactions energy: -397.603 where: short stacking energy: -209.302 Base-Backbone interact. energy: 1.657 local terms energy: -350.454081 where: bonds (distance) C4'-P energy: -90.274 bonds (distance) P-C4' energy: -91.744 flat angles C4'-P-C4' energy: -75.856 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: -37.714 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: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -680.953049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.953049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.953049 (E_RNA) where: Base-Base interactions energy: -374.429 where: short stacking energy: -188.471 Base-Backbone interact. energy: -2.107 local terms energy: -304.416818 where: bonds (distance) C4'-P energy: -94.843 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -80.904 flat angles P-C4'-P energy: -37.553 tors. eta vs tors. theta energy: -14.079 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: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -566.297457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.297457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.297457 (E_RNA) where: Base-Base interactions energy: -301.424 where: short stacking energy: -163.127 Base-Backbone interact. energy: -0.050 local terms energy: -264.822877 where: bonds (distance) C4'-P energy: -81.219 bonds (distance) P-C4' energy: -70.534 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -33.631 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -369.370464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.370464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.370464 (E_RNA) where: Base-Base interactions energy: -123.151 where: short stacking energy: -101.647 Base-Backbone interact. energy: 0.366 local terms energy: -246.586122 where: bonds (distance) C4'-P energy: -76.453 bonds (distance) P-C4' energy: -89.955 flat angles C4'-P-C4' energy: -68.102 flat angles P-C4'-P energy: -31.971 tors. eta vs tors. theta energy: 19.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1461.014626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.014626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.014626 (E_RNA) where: Base-Base interactions energy: -970.365 where: short stacking energy: -454.934 Base-Backbone interact. energy: -2.498 local terms energy: -488.150855 where: bonds (distance) C4'-P energy: -96.210 bonds (distance) P-C4' energy: -84.431 flat angles C4'-P-C4' energy: -108.447 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -125.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1294.634590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.634590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.634590 (E_RNA) where: Base-Base interactions energy: -820.361 where: short stacking energy: -400.272 Base-Backbone interact. energy: -0.433 local terms energy: -473.841301 where: bonds (distance) C4'-P energy: -91.100 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -98.328 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -106.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1265.413303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.413303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.413303 (E_RNA) where: Base-Base interactions energy: -813.479 where: short stacking energy: -400.665 Base-Backbone interact. energy: -2.034 local terms energy: -449.900648 where: bonds (distance) C4'-P energy: -93.656 bonds (distance) P-C4' energy: -91.823 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -64.769 tors. eta vs tors. theta energy: -112.378 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: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1079.438974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.438974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.438974 (E_RNA) where: Base-Base interactions energy: -669.522 where: short stacking energy: -322.413 Base-Backbone interact. energy: -1.348 local terms energy: -408.568842 where: bonds (distance) C4'-P energy: -86.336 bonds (distance) P-C4' energy: -85.024 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -55.901 tors. eta vs tors. theta energy: -83.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -981.722591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.722591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.722591 (E_RNA) where: Base-Base interactions energy: -603.313 where: short stacking energy: -270.627 Base-Backbone interact. energy: -0.289 local terms energy: -378.120548 where: bonds (distance) C4'-P energy: -88.538 bonds (distance) P-C4' energy: -91.372 flat angles C4'-P-C4' energy: -79.866 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -65.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -887.671048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.671048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.671048 (E_RNA) where: Base-Base interactions energy: -512.505 where: short stacking energy: -260.075 Base-Backbone interact. energy: -0.706 local terms energy: -374.459852 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -88.682 flat angles C4'-P-C4' energy: -85.249 flat angles P-C4'-P energy: -55.339 tors. eta vs tors. theta energy: -44.637 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: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -708.783952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.783952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.783952 (E_RNA) where: Base-Base interactions energy: -389.716 where: short stacking energy: -213.151 Base-Backbone interact. energy: 2.042 local terms energy: -321.110091 where: bonds (distance) C4'-P energy: -74.695 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -78.181 flat angles P-C4'-P energy: -54.602 tors. eta vs tors. theta energy: -30.043 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: 7 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -654.781188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.781188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.781188 (E_RNA) where: Base-Base interactions energy: -359.311 where: short stacking energy: -187.643 Base-Backbone interact. energy: 2.472 local terms energy: -297.941788 where: bonds (distance) C4'-P energy: -63.178 bonds (distance) P-C4' energy: -82.562 flat angles C4'-P-C4' energy: -82.526 flat angles P-C4'-P energy: -54.984 tors. eta vs tors. theta energy: -14.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -600.165360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.165360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.165360 (E_RNA) where: Base-Base interactions energy: -295.597 where: short stacking energy: -174.537 Base-Backbone interact. energy: 1.323 local terms energy: -305.891608 where: bonds (distance) C4'-P energy: -91.797 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -77.106 flat angles P-C4'-P energy: -37.407 tors. eta vs tors. theta energy: -19.263 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: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -366.084978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.084978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.084978 (E_RNA) where: Base-Base interactions energy: -116.789 where: short stacking energy: -99.886 Base-Backbone interact. energy: 0.796 local terms energy: -250.092300 where: bonds (distance) C4'-P energy: -67.540 bonds (distance) P-C4' energy: -90.974 flat angles C4'-P-C4' energy: -59.651 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: 21.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1432.390317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.390317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.390317 (E_RNA) where: Base-Base interactions energy: -935.927 where: short stacking energy: -451.268 Base-Backbone interact. energy: 0.109 local terms energy: -496.572315 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -94.541 flat angles C4'-P-C4' energy: -115.641 flat angles P-C4'-P energy: -65.121 tors. eta vs tors. theta energy: -131.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1366.041561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.041561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.041561 (E_RNA) where: Base-Base interactions energy: -900.129 where: short stacking energy: -396.026 Base-Backbone interact. energy: 2.650 local terms energy: -468.561722 where: bonds (distance) C4'-P energy: -92.819 bonds (distance) P-C4' energy: -98.536 flat angles C4'-P-C4' energy: -96.683 flat angles P-C4'-P energy: -64.489 tors. eta vs tors. theta energy: -116.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1237.612218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.612218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.612218 (E_RNA) where: Base-Base interactions energy: -773.932 where: short stacking energy: -404.375 Base-Backbone interact. energy: -3.275 local terms energy: -460.405869 where: bonds (distance) C4'-P energy: -90.092 bonds (distance) P-C4' energy: -97.294 flat angles C4'-P-C4' energy: -95.798 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -106.015 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: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1141.151586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.151586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.151586 (E_RNA) where: Base-Base interactions energy: -738.548 where: short stacking energy: -333.916 Base-Backbone interact. energy: -2.208 local terms energy: -400.396342 where: bonds (distance) C4'-P energy: -80.228 bonds (distance) P-C4' energy: -91.371 flat angles C4'-P-C4' energy: -94.443 flat angles P-C4'-P energy: -51.460 tors. eta vs tors. theta energy: -82.895 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: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1018.042509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.042509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.042509 (E_RNA) where: Base-Base interactions energy: -616.963 where: short stacking energy: -290.868 Base-Backbone interact. energy: -1.020 local terms energy: -400.060115 where: bonds (distance) C4'-P energy: -88.243 bonds (distance) P-C4' energy: -87.891 flat angles C4'-P-C4' energy: -98.736 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -61.779 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: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -894.544285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.544285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.544285 (E_RNA) where: Base-Base interactions energy: -564.310 where: short stacking energy: -268.023 Base-Backbone interact. energy: -2.455 local terms energy: -327.779538 where: bonds (distance) C4'-P energy: -70.174 bonds (distance) P-C4' energy: -94.989 flat angles C4'-P-C4' energy: -86.038 flat angles P-C4'-P energy: -38.847 tors. eta vs tors. theta energy: -37.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -728.670866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.670866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.670866 (E_RNA) where: Base-Base interactions energy: -391.265 where: short stacking energy: -222.124 Base-Backbone interact. energy: 0.676 local terms energy: -338.082364 where: bonds (distance) C4'-P energy: -77.513 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -83.118 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -29.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -653.710676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.710676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.710676 (E_RNA) where: Base-Base interactions energy: -349.450 where: short stacking energy: -182.809 Base-Backbone interact. energy: -0.617 local terms energy: -303.643180 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -86.162 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: -22.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -599.568666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.568666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.568666 (E_RNA) where: Base-Base interactions energy: -305.651 where: short stacking energy: -168.731 Base-Backbone interact. energy: 0.265 local terms energy: -294.182370 where: bonds (distance) C4'-P energy: -74.610 bonds (distance) P-C4' energy: -76.988 flat angles C4'-P-C4' energy: -89.095 flat angles P-C4'-P energy: -51.818 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -385.707887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.707887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.707887 (E_RNA) where: Base-Base interactions energy: -134.306 where: short stacking energy: -108.763 Base-Backbone interact. energy: -0.646 local terms energy: -250.756045 where: bonds (distance) C4'-P energy: -73.728 bonds (distance) P-C4' energy: -78.102 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -48.917 tors. eta vs tors. theta energy: 7.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1462.385409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.385409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.385409 (E_RNA) where: Base-Base interactions energy: -966.877 where: short stacking energy: -451.270 Base-Backbone interact. energy: -3.949 local terms energy: -491.559291 where: bonds (distance) C4'-P energy: -96.295 bonds (distance) P-C4' energy: -98.354 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -67.645 tors. eta vs tors. theta energy: -126.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1380.108631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.108631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.108631 (E_RNA) where: Base-Base interactions energy: -901.231 where: short stacking energy: -436.518 Base-Backbone interact. energy: -4.055 local terms energy: -474.823129 where: bonds (distance) C4'-P energy: -94.065 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -100.899 flat angles P-C4'-P energy: -66.570 tors. eta vs tors. theta energy: -123.683 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1229.970546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.970546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.970546 (E_RNA) where: Base-Base interactions energy: -785.450 where: short stacking energy: -408.840 Base-Backbone interact. energy: -2.487 local terms energy: -442.033384 where: bonds (distance) C4'-P energy: -91.454 bonds (distance) P-C4' energy: -89.395 flat angles C4'-P-C4' energy: -88.150 flat angles P-C4'-P energy: -64.460 tors. eta vs tors. theta energy: -108.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1137.344256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.344256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.344256 (E_RNA) where: Base-Base interactions energy: -686.778 where: short stacking energy: -321.385 Base-Backbone interact. energy: -0.052 local terms energy: -450.513530 where: bonds (distance) C4'-P energy: -77.967 bonds (distance) P-C4' energy: -105.256 flat angles C4'-P-C4' energy: -108.252 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -88.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -984.970330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.970330 (E_RNA) where: Base-Base interactions energy: -602.563 where: short stacking energy: -281.798 Base-Backbone interact. energy: 2.735 local terms energy: -385.142823 where: bonds (distance) C4'-P energy: -87.646 bonds (distance) P-C4' energy: -84.236 flat angles C4'-P-C4' energy: -88.920 flat angles P-C4'-P energy: -67.334 tors. eta vs tors. theta energy: -57.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -888.775097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.775097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.775097 (E_RNA) where: Base-Base interactions energy: -537.548 where: short stacking energy: -254.557 Base-Backbone interact. energy: -1.259 local terms energy: -349.968252 where: bonds (distance) C4'-P energy: -91.814 bonds (distance) P-C4' energy: -86.661 flat angles C4'-P-C4' energy: -89.671 flat angles P-C4'-P energy: -32.486 tors. eta vs tors. theta energy: -49.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -728.790059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.790059 (E_RNA) where: Base-Base interactions energy: -392.793 where: short stacking energy: -217.732 Base-Backbone interact. energy: -1.754 local terms energy: -334.242894 where: bonds (distance) C4'-P energy: -71.084 bonds (distance) P-C4' energy: -80.215 flat angles C4'-P-C4' energy: -80.320 flat angles P-C4'-P energy: -61.943 tors. eta vs tors. theta energy: -40.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -693.936106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.936106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.936106 (E_RNA) where: Base-Base interactions energy: -375.743 where: short stacking energy: -194.368 Base-Backbone interact. energy: 0.958 local terms energy: -319.150889 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -85.663 flat angles C4'-P-C4' energy: -82.519 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -29.756 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: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -672.794866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.794866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.794866 (E_RNA) where: Base-Base interactions energy: -374.803 where: short stacking energy: -198.220 Base-Backbone interact. energy: -0.414 local terms energy: -297.577946 where: bonds (distance) C4'-P energy: -84.076 bonds (distance) P-C4' energy: -67.317 flat angles C4'-P-C4' energy: -81.441 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -32.293 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: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -371.005595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.005595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.005595 (E_RNA) where: Base-Base interactions energy: -162.893 where: short stacking energy: -127.791 Base-Backbone interact. energy: 2.995 local terms energy: -211.108188 where: bonds (distance) C4'-P energy: -78.256 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -38.428 flat angles P-C4'-P energy: -38.430 tors. eta vs tors. theta energy: 21.941 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: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1449.102797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.102797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.102797 (E_RNA) where: Base-Base interactions energy: -933.938 where: short stacking energy: -443.470 Base-Backbone interact. energy: -5.378 local terms energy: -509.786993 where: bonds (distance) C4'-P energy: -103.580 bonds (distance) P-C4' energy: -104.852 flat angles C4'-P-C4' energy: -101.611 flat angles P-C4'-P energy: -71.509 tors. eta vs tors. theta energy: -128.235 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: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1371.040169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.040169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.040169 (E_RNA) where: Base-Base interactions energy: -877.318 where: short stacking energy: -428.863 Base-Backbone interact. energy: -2.172 local terms energy: -491.550167 where: bonds (distance) C4'-P energy: -102.200 bonds (distance) P-C4' energy: -103.963 flat angles C4'-P-C4' energy: -101.711 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: -121.896 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: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1238.240456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.240456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.240456 (E_RNA) where: Base-Base interactions energy: -798.018 where: short stacking energy: -373.302 Base-Backbone interact. energy: -1.226 local terms energy: -438.996646 where: bonds (distance) C4'-P energy: -81.060 bonds (distance) P-C4' energy: -100.996 flat angles C4'-P-C4' energy: -99.159 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -95.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1114.114509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.114509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.114509 (E_RNA) where: Base-Base interactions energy: -701.128 where: short stacking energy: -297.718 Base-Backbone interact. energy: 7.115 local terms energy: -420.100991 where: bonds (distance) C4'-P energy: -99.420 bonds (distance) P-C4' energy: -93.018 flat angles C4'-P-C4' energy: -90.536 flat angles P-C4'-P energy: -61.881 tors. eta vs tors. theta energy: -75.245 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: 5, replica: 9 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -982.522052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.522052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.522052 (E_RNA) where: Base-Base interactions energy: -594.776 where: short stacking energy: -311.276 Base-Backbone interact. energy: -1.254 local terms energy: -386.491720 where: bonds (distance) C4'-P energy: -74.234 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -92.987 flat angles P-C4'-P energy: -59.396 tors. eta vs tors. theta energy: -69.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -930.119552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.119552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.119552 (E_RNA) where: Base-Base interactions energy: -560.163 where: short stacking energy: -263.413 Base-Backbone interact. energy: -2.698 local terms energy: -367.258595 where: bonds (distance) C4'-P energy: -92.853 bonds (distance) P-C4' energy: -87.402 flat angles C4'-P-C4' energy: -86.530 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -60.034 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: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -719.837817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.837817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.837817 (E_RNA) where: Base-Base interactions energy: -397.142 where: short stacking energy: -224.989 Base-Backbone interact. energy: -3.451 local terms energy: -319.244630 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -84.484 flat angles C4'-P-C4' energy: -83.833 flat angles P-C4'-P energy: -53.691 tors. eta vs tors. theta energy: -33.536 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: 88 Temperature: 1.250000 Total energy: -649.255285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.255285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.255285 (E_RNA) where: Base-Base interactions energy: -350.942 where: short stacking energy: -176.095 Base-Backbone interact. energy: 1.926 local terms energy: -300.239357 where: bonds (distance) C4'-P energy: -81.824 bonds (distance) P-C4' energy: -76.720 flat angles C4'-P-C4' energy: -72.657 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -19.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -671.061935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.061935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.061935 (E_RNA) where: Base-Base interactions energy: -367.201 where: short stacking energy: -175.881 Base-Backbone interact. energy: 2.322 local terms energy: -306.183369 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -107.779 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -41.494 tors. eta vs tors. theta energy: -10.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -351.798301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.798301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.798301 (E_RNA) where: Base-Base interactions energy: -112.759 where: short stacking energy: -97.266 Base-Backbone interact. energy: -0.741 local terms energy: -238.298664 where: bonds (distance) C4'-P energy: -68.947 bonds (distance) P-C4' energy: -86.312 flat angles C4'-P-C4' energy: -53.506 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: 12.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1445.633621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.633621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.633621 (E_RNA) where: Base-Base interactions energy: -953.817 where: short stacking energy: -437.330 Base-Backbone interact. energy: -5.032 local terms energy: -486.784501 where: bonds (distance) C4'-P energy: -96.446 bonds (distance) P-C4' energy: -97.943 flat angles C4'-P-C4' energy: -106.541 flat angles P-C4'-P energy: -61.937 tors. eta vs tors. theta energy: -123.918 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: 89 Temperature: 0.950000 Total energy: -1356.600948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.600948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.600948 (E_RNA) where: Base-Base interactions energy: -903.806 where: short stacking energy: -421.186 Base-Backbone interact. energy: -1.339 local terms energy: -451.456196 where: bonds (distance) C4'-P energy: -88.328 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -104.847 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -125.135 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: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1243.590278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.590278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.590278 (E_RNA) where: Base-Base interactions energy: -792.768 where: short stacking energy: -372.219 Base-Backbone interact. energy: -2.342 local terms energy: -448.479874 where: bonds (distance) C4'-P energy: -98.677 bonds (distance) P-C4' energy: -92.603 flat angles C4'-P-C4' energy: -96.953 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -98.438 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: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1172.320719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.320719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.320719 (E_RNA) where: Base-Base interactions energy: -757.329 where: short stacking energy: -355.302 Base-Backbone interact. energy: 0.084 local terms energy: -415.076159 where: bonds (distance) C4'-P energy: -90.707 bonds (distance) P-C4' energy: -90.389 flat angles C4'-P-C4' energy: -94.426 flat angles P-C4'-P energy: -58.741 tors. eta vs tors. theta energy: -80.813 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: 9 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1047.333218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.333218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.333218 (E_RNA) where: Base-Base interactions energy: -634.383 where: short stacking energy: -336.299 Base-Backbone interact. energy: -0.455 local terms energy: -412.494393 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -81.972 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -65.862 tors. eta vs tors. theta energy: -84.739 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: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -925.313826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.313826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.313826 (E_RNA) where: Base-Base interactions energy: -578.780 where: short stacking energy: -276.271 Base-Backbone interact. energy: -0.610 local terms energy: -345.924495 where: bonds (distance) C4'-P energy: -78.165 bonds (distance) P-C4' energy: -81.930 flat angles C4'-P-C4' energy: -82.802 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -61.148 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -702.981898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.981898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.981898 (E_RNA) where: Base-Base interactions energy: -374.820 where: short stacking energy: -221.706 Base-Backbone interact. energy: 0.032 local terms energy: -328.193353 where: bonds (distance) C4'-P energy: -77.466 bonds (distance) P-C4' energy: -96.380 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: -29.117 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: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -680.430286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.430286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.430286 (E_RNA) where: Base-Base interactions energy: -361.914 where: short stacking energy: -196.558 Base-Backbone interact. energy: -1.751 local terms energy: -316.765952 where: bonds (distance) C4'-P energy: -81.041 bonds (distance) P-C4' energy: -75.571 flat angles C4'-P-C4' energy: -84.299 flat angles P-C4'-P energy: -54.000 tors. eta vs tors. theta energy: -21.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -680.268791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.268791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.268791 (E_RNA) where: Base-Base interactions energy: -382.691 where: short stacking energy: -188.435 Base-Backbone interact. energy: -1.357 local terms energy: -296.220710 where: bonds (distance) C4'-P energy: -84.530 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -16.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -420.970700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.970700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.970700 (E_RNA) where: Base-Base interactions energy: -179.003 where: short stacking energy: -118.280 Base-Backbone interact. energy: -1.817 local terms energy: -240.150657 where: bonds (distance) C4'-P energy: -80.389 bonds (distance) P-C4' energy: -69.730 flat angles C4'-P-C4' energy: -68.089 flat angles P-C4'-P energy: -33.894 tors. eta vs tors. theta energy: 11.950 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: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1446.947193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.947193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.947193 (E_RNA) where: Base-Base interactions energy: -963.510 where: short stacking energy: -437.467 Base-Backbone interact. energy: -4.497 local terms energy: -478.940392 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -96.120 flat angles C4'-P-C4' energy: -98.430 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -128.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1346.627289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.627289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.627289 (E_RNA) where: Base-Base interactions energy: -878.019 where: short stacking energy: -413.927 Base-Backbone interact. energy: -4.207 local terms energy: -464.401872 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -93.564 flat angles C4'-P-C4' energy: -102.262 flat angles P-C4'-P energy: -62.790 tors. eta vs tors. theta energy: -117.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1268.457864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.457864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.457864 (E_RNA) where: Base-Base interactions energy: -807.577 where: short stacking energy: -393.455 Base-Backbone interact. energy: -1.926 local terms energy: -458.955144 where: bonds (distance) C4'-P energy: -92.198 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -103.429 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: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1187.099715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.099715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.099715 (E_RNA) where: Base-Base interactions energy: -771.197 where: short stacking energy: -365.135 Base-Backbone interact. energy: 1.200 local terms energy: -417.102683 where: bonds (distance) C4'-P energy: -75.972 bonds (distance) P-C4' energy: -95.317 flat angles C4'-P-C4' energy: -87.229 flat angles P-C4'-P energy: -70.317 tors. eta vs tors. theta energy: -88.267 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: 9 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1007.731835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.731835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.731835 (E_RNA) where: Base-Base interactions energy: -600.160 where: short stacking energy: -278.163 Base-Backbone interact. energy: -0.992 local terms energy: -406.579839 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -90.156 flat angles P-C4'-P energy: -59.330 tors. eta vs tors. theta energy: -67.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -915.569949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.569949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.569949 (E_RNA) where: Base-Base interactions energy: -542.784 where: short stacking energy: -236.957 Base-Backbone interact. energy: -1.085 local terms energy: -371.700646 where: bonds (distance) C4'-P energy: -98.483 bonds (distance) P-C4' energy: -85.536 flat angles C4'-P-C4' energy: -93.747 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: -40.549 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: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -772.203452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.203452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.203452 (E_RNA) where: Base-Base interactions energy: -444.445 where: short stacking energy: -249.641 Base-Backbone interact. energy: 3.689 local terms energy: -331.447744 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -77.667 flat angles C4'-P-C4' energy: -82.380 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -45.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -702.624196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.624196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.624196 (E_RNA) where: Base-Base interactions energy: -374.904 where: short stacking energy: -199.095 Base-Backbone interact. energy: 1.018 local terms energy: -328.737850 where: bonds (distance) C4'-P energy: -92.663 bonds (distance) P-C4' energy: -73.705 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -34.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -663.958989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.958989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.958989 (E_RNA) where: Base-Base interactions energy: -371.808 where: short stacking energy: -177.823 Base-Backbone interact. energy: 1.269 local terms energy: -293.419723 where: bonds (distance) C4'-P energy: -80.456 bonds (distance) P-C4' energy: -76.758 flat angles C4'-P-C4' energy: -70.155 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: -15.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -430.631319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.631319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.631319 (E_RNA) where: Base-Base interactions energy: -149.896 where: short stacking energy: -97.420 Base-Backbone interact. energy: -0.618 local terms energy: -280.117642 where: bonds (distance) C4'-P energy: -84.918 bonds (distance) P-C4' energy: -89.571 flat angles C4'-P-C4' energy: -88.593 flat angles P-C4'-P energy: -43.039 tors. eta vs tors. theta energy: 26.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1453.130631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.130631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.130631 (E_RNA) where: Base-Base interactions energy: -963.739 where: short stacking energy: -468.646 Base-Backbone interact. energy: -1.269 local terms energy: -488.122377 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -99.581 flat angles C4'-P-C4' energy: -110.508 flat angles P-C4'-P energy: -65.408 tors. eta vs tors. theta energy: -126.927 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: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1350.731545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.731545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.731545 (E_RNA) where: Base-Base interactions energy: -868.085 where: short stacking energy: -396.613 Base-Backbone interact. energy: -3.070 local terms energy: -479.576506 where: bonds (distance) C4'-P energy: -105.214 bonds (distance) P-C4' energy: -89.135 flat angles C4'-P-C4' energy: -99.235 flat angles P-C4'-P energy: -66.365 tors. eta vs tors. theta energy: -119.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1282.823162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.823162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.823162 (E_RNA) where: Base-Base interactions energy: -813.039 where: short stacking energy: -393.370 Base-Backbone interact. energy: -6.713 local terms energy: -463.070740 where: bonds (distance) C4'-P energy: -88.561 bonds (distance) P-C4' energy: -93.370 flat angles C4'-P-C4' energy: -98.137 flat angles P-C4'-P energy: -62.393 tors. eta vs tors. theta energy: -120.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1210.116480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.116480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.116480 (E_RNA) where: Base-Base interactions energy: -793.196 where: short stacking energy: -363.317 Base-Backbone interact. energy: -2.219 local terms energy: -414.701837 where: bonds (distance) C4'-P energy: -81.229 bonds (distance) P-C4' energy: -87.174 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -50.532 tors. eta vs tors. theta energy: -96.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1017.620973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.620973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.620973 (E_RNA) where: Base-Base interactions energy: -622.627 where: short stacking energy: -297.330 Base-Backbone interact. energy: -2.090 local terms energy: -392.904182 where: bonds (distance) C4'-P energy: -90.628 bonds (distance) P-C4' energy: -86.612 flat angles C4'-P-C4' energy: -88.646 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: -74.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -934.750393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.750393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.750393 (E_RNA) where: Base-Base interactions energy: -571.984 where: short stacking energy: -262.265 Base-Backbone interact. energy: 3.468 local terms energy: -366.233846 where: bonds (distance) C4'-P energy: -86.314 bonds (distance) P-C4' energy: -93.554 flat angles C4'-P-C4' energy: -88.480 flat angles P-C4'-P energy: -47.481 tors. eta vs tors. theta energy: -50.404 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: 91 Temperature: 1.200000 Total energy: -747.642570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.642570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.642570 (E_RNA) where: Base-Base interactions energy: -430.723 where: short stacking energy: -254.126 Base-Backbone interact. energy: -0.053 local terms energy: -316.866428 where: bonds (distance) C4'-P energy: -78.465 bonds (distance) P-C4' energy: -90.299 flat angles C4'-P-C4' energy: -70.987 flat angles P-C4'-P energy: -40.462 tors. eta vs tors. theta energy: -36.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -688.716879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.716879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.716879 (E_RNA) where: Base-Base interactions energy: -385.922 where: short stacking energy: -184.306 Base-Backbone interact. energy: 2.705 local terms energy: -305.500143 where: bonds (distance) C4'-P energy: -86.817 bonds (distance) P-C4' energy: -81.981 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -13.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -590.602897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.602897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.602897 (E_RNA) where: Base-Base interactions energy: -292.900 where: short stacking energy: -152.014 Base-Backbone interact. energy: -1.040 local terms energy: -296.662263 where: bonds (distance) C4'-P energy: -91.575 bonds (distance) P-C4' energy: -92.411 flat angles C4'-P-C4' energy: -69.149 flat angles P-C4'-P energy: -46.147 tors. eta vs tors. theta energy: 2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -364.047281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.047281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.047281 (E_RNA) where: Base-Base interactions energy: -139.595 where: short stacking energy: -111.886 Base-Backbone interact. energy: -1.084 local terms energy: -223.368758 where: bonds (distance) C4'-P energy: -70.526 bonds (distance) P-C4' energy: -76.658 flat angles C4'-P-C4' energy: -58.937 flat angles P-C4'-P energy: -30.167 tors. eta vs tors. theta energy: 12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1451.612561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.612561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.612561 (E_RNA) where: Base-Base interactions energy: -961.720 where: short stacking energy: -449.794 Base-Backbone interact. energy: 0.830 local terms energy: -490.722155 where: bonds (distance) C4'-P energy: -90.641 bonds (distance) P-C4' energy: -99.763 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -62.777 tors. eta vs tors. theta energy: -129.194 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: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1355.735265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.735265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.735265 (E_RNA) where: Base-Base interactions energy: -877.501 where: short stacking energy: -435.775 Base-Backbone interact. energy: -3.279 local terms energy: -474.955126 where: bonds (distance) C4'-P energy: -83.454 bonds (distance) P-C4' energy: -103.512 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -123.300 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: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1280.710517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.710517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.710517 (E_RNA) where: Base-Base interactions energy: -819.321 where: short stacking energy: -411.808 Base-Backbone interact. energy: -0.587 local terms energy: -460.802450 where: bonds (distance) C4'-P energy: -87.378 bonds (distance) P-C4' energy: -89.252 flat angles C4'-P-C4' energy: -95.075 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -125.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1199.537464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.537464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.537464 (E_RNA) where: Base-Base interactions energy: -783.074 where: short stacking energy: -350.353 Base-Backbone interact. energy: -0.225 local terms energy: -416.239013 where: bonds (distance) C4'-P energy: -87.149 bonds (distance) P-C4' energy: -80.698 flat angles C4'-P-C4' energy: -97.324 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -92.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -957.828615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.828615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.828615 (E_RNA) where: Base-Base interactions energy: -561.603 where: short stacking energy: -253.181 Base-Backbone interact. energy: 1.275 local terms energy: -397.501277 where: bonds (distance) C4'-P energy: -83.876 bonds (distance) P-C4' energy: -96.857 flat angles C4'-P-C4' energy: -88.010 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: -60.177 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: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -977.783480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.783480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.783480 (E_RNA) where: Base-Base interactions energy: -617.257 where: short stacking energy: -304.139 Base-Backbone interact. energy: -2.577 local terms energy: -357.949209 where: bonds (distance) C4'-P energy: -90.897 bonds (distance) P-C4' energy: -85.395 flat angles C4'-P-C4' energy: -84.118 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: -51.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -736.653258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.653258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.653258 (E_RNA) where: Base-Base interactions energy: -421.782 where: short stacking energy: -241.881 Base-Backbone interact. energy: 6.529 local terms energy: -321.399857 where: bonds (distance) C4'-P energy: -66.938 bonds (distance) P-C4' energy: -96.158 flat angles C4'-P-C4' energy: -91.094 flat angles P-C4'-P energy: -35.535 tors. eta vs tors. theta energy: -31.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -697.345907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.345907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.345907 (E_RNA) where: Base-Base interactions energy: -397.568 where: short stacking energy: -207.843 Base-Backbone interact. energy: 1.349 local terms energy: -301.126481 where: bonds (distance) C4'-P energy: -74.902 bonds (distance) P-C4' energy: -88.230 flat angles C4'-P-C4' energy: -71.231 flat angles P-C4'-P energy: -52.603 tors. eta vs tors. theta energy: -14.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -613.282028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.282028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.282028 (E_RNA) where: Base-Base interactions energy: -339.068 where: short stacking energy: -158.875 Base-Backbone interact. energy: 0.930 local terms energy: -275.143906 where: bonds (distance) C4'-P energy: -82.777 bonds (distance) P-C4' energy: -75.623 flat angles C4'-P-C4' energy: -69.365 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -397.102517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.102517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.102517 (E_RNA) where: Base-Base interactions energy: -130.401 where: short stacking energy: -99.206 Base-Backbone interact. energy: -1.586 local terms energy: -265.115533 where: bonds (distance) C4'-P energy: -75.025 bonds (distance) P-C4' energy: -79.062 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: 14.883 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: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1451.645723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.645723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.645723 (E_RNA) where: Base-Base interactions energy: -952.394 where: short stacking energy: -450.177 Base-Backbone interact. energy: -4.827 local terms energy: -494.423964 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -105.311 flat angles C4'-P-C4' energy: -105.605 flat angles P-C4'-P energy: -74.995 tors. eta vs tors. theta energy: -129.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1303.513958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.513958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.513958 (E_RNA) where: Base-Base interactions energy: -825.115 where: short stacking energy: -384.196 Base-Backbone interact. energy: -0.321 local terms energy: -478.078046 where: bonds (distance) C4'-P energy: -97.932 bonds (distance) P-C4' energy: -103.418 flat angles C4'-P-C4' energy: -103.757 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -108.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1301.528070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.528070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.528070 (E_RNA) where: Base-Base interactions energy: -852.406 where: short stacking energy: -413.299 Base-Backbone interact. energy: -3.094 local terms energy: -446.028000 where: bonds (distance) C4'-P energy: -87.277 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -89.509 flat angles P-C4'-P energy: -70.638 tors. eta vs tors. theta energy: -116.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1255.083633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.083633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.083633 (E_RNA) where: Base-Base interactions energy: -788.761 where: short stacking energy: -369.840 Base-Backbone interact. energy: -1.048 local terms energy: -465.274375 where: bonds (distance) C4'-P energy: -90.387 bonds (distance) P-C4' energy: -102.430 flat angles C4'-P-C4' energy: -96.594 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -104.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -928.447070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.447070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.447070 (E_RNA) where: Base-Base interactions energy: -559.117 where: short stacking energy: -246.234 Base-Backbone interact. energy: 3.560 local terms energy: -372.890485 where: bonds (distance) C4'-P energy: -84.156 bonds (distance) P-C4' energy: -84.949 flat angles C4'-P-C4' energy: -84.393 flat angles P-C4'-P energy: -60.432 tors. eta vs tors. theta energy: -58.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -940.192144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.192144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.192144 (E_RNA) where: Base-Base interactions energy: -559.392 where: short stacking energy: -281.908 Base-Backbone interact. energy: 2.192 local terms energy: -382.992769 where: bonds (distance) C4'-P energy: -79.178 bonds (distance) P-C4' energy: -95.090 flat angles C4'-P-C4' energy: -92.497 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -60.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -735.090792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.090792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.090792 (E_RNA) where: Base-Base interactions energy: -413.271 where: short stacking energy: -210.149 Base-Backbone interact. energy: 2.040 local terms energy: -323.859461 where: bonds (distance) C4'-P energy: -89.563 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -90.397 flat angles P-C4'-P energy: -41.475 tors. eta vs tors. theta energy: -13.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -682.697298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.697298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.697298 (E_RNA) where: Base-Base interactions energy: -378.138 where: short stacking energy: -207.117 Base-Backbone interact. energy: -2.719 local terms energy: -301.840347 where: bonds (distance) C4'-P energy: -88.084 bonds (distance) P-C4' energy: -66.413 flat angles C4'-P-C4' energy: -83.146 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: -20.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -626.462118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.462118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.462118 (E_RNA) where: Base-Base interactions energy: -319.016 where: short stacking energy: -173.706 Base-Backbone interact. energy: -0.109 local terms energy: -307.337534 where: bonds (distance) C4'-P energy: -84.202 bonds (distance) P-C4' energy: -91.586 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -455.530138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.530138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.530138 (E_RNA) where: Base-Base interactions energy: -203.639 where: short stacking energy: -108.017 Base-Backbone interact. energy: -1.139 local terms energy: -250.752403 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -78.257 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -39.686 tors. eta vs tors. theta energy: 28.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1418.649753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.649753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.649753 (E_RNA) where: Base-Base interactions energy: -916.863 where: short stacking energy: -425.681 Base-Backbone interact. energy: -1.474 local terms energy: -500.313148 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -98.736 flat angles C4'-P-C4' energy: -102.615 flat angles P-C4'-P energy: -72.762 tors. eta vs tors. theta energy: -133.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1343.562070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.562070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.562070 (E_RNA) where: Base-Base interactions energy: -863.607 where: short stacking energy: -398.550 Base-Backbone interact. energy: -3.791 local terms energy: -476.163855 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -105.213 flat angles C4'-P-C4' energy: -100.544 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -115.306 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: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1251.833226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.833226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.833226 (E_RNA) where: Base-Base interactions energy: -818.305 where: short stacking energy: -375.331 Base-Backbone interact. energy: -3.779 local terms energy: -429.749844 where: bonds (distance) C4'-P energy: -84.005 bonds (distance) P-C4' energy: -88.961 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -66.088 tors. eta vs tors. theta energy: -89.520 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: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1198.377087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.377087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.377087 (E_RNA) where: Base-Base interactions energy: -752.368 where: short stacking energy: -355.181 Base-Backbone interact. energy: 1.203 local terms energy: -447.211670 where: bonds (distance) C4'-P energy: -83.151 bonds (distance) P-C4' energy: -91.356 flat angles C4'-P-C4' energy: -102.227 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -95.394 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: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1057.559360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.559360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.559360 (E_RNA) where: Base-Base interactions energy: -654.480 where: short stacking energy: -320.280 Base-Backbone interact. energy: -0.329 local terms energy: -402.750420 where: bonds (distance) C4'-P energy: -87.774 bonds (distance) P-C4' energy: -94.280 flat angles C4'-P-C4' energy: -93.915 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -64.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -916.084893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.084893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.084893 (E_RNA) where: Base-Base interactions energy: -560.767 where: short stacking energy: -271.245 Base-Backbone interact. energy: -1.223 local terms energy: -354.094690 where: bonds (distance) C4'-P energy: -82.274 bonds (distance) P-C4' energy: -88.862 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -42.946 tors. eta vs tors. theta energy: -57.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -745.843958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.843958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.843958 (E_RNA) where: Base-Base interactions energy: -429.884 where: short stacking energy: -225.814 Base-Backbone interact. energy: -1.550 local terms energy: -314.409976 where: bonds (distance) C4'-P energy: -78.017 bonds (distance) P-C4' energy: -78.100 flat angles C4'-P-C4' energy: -93.423 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -20.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -658.250944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.250944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.250944 (E_RNA) where: Base-Base interactions energy: -324.170 where: short stacking energy: -159.200 Base-Backbone interact. energy: -1.993 local terms energy: -332.087635 where: bonds (distance) C4'-P energy: -82.584 bonds (distance) P-C4' energy: -93.324 flat angles C4'-P-C4' energy: -81.777 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -23.515 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: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -627.110129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.110129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.110129 (E_RNA) where: Base-Base interactions energy: -352.160 where: short stacking energy: -176.641 Base-Backbone interact. energy: -2.266 local terms energy: -272.683747 where: bonds (distance) C4'-P energy: -65.604 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -79.184 flat angles P-C4'-P energy: -24.748 tors. eta vs tors. theta energy: -14.453 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: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -488.776825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.776825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.776825 (E_RNA) where: Base-Base interactions energy: -218.956 where: short stacking energy: -128.799 Base-Backbone interact. energy: 5.680 local terms energy: -275.500950 where: bonds (distance) C4'-P energy: -74.487 bonds (distance) P-C4' energy: -90.182 flat angles C4'-P-C4' energy: -66.596 flat angles P-C4'-P energy: -46.988 tors. eta vs tors. theta energy: 2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1442.897285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.897285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.897285 (E_RNA) where: Base-Base interactions energy: -948.168 where: short stacking energy: -421.113 Base-Backbone interact. energy: -6.541 local terms energy: -488.188238 where: bonds (distance) C4'-P energy: -104.048 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -104.754 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -129.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1336.967467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.967467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.967467 (E_RNA) where: Base-Base interactions energy: -845.262 where: short stacking energy: -411.373 Base-Backbone interact. energy: -1.380 local terms energy: -490.324827 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -102.286 flat angles C4'-P-C4' energy: -110.152 flat angles P-C4'-P energy: -69.632 tors. eta vs tors. theta energy: -114.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1310.050902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.050902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.050902 (E_RNA) where: Base-Base interactions energy: -836.625 where: short stacking energy: -399.455 Base-Backbone interact. energy: 0.023 local terms energy: -473.448924 where: bonds (distance) C4'-P energy: -97.504 bonds (distance) P-C4' energy: -99.669 flat angles C4'-P-C4' energy: -98.049 flat angles P-C4'-P energy: -57.326 tors. eta vs tors. theta energy: -120.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1190.717590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.717590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.717590 (E_RNA) where: Base-Base interactions energy: -739.085 where: short stacking energy: -363.456 Base-Backbone interact. energy: -1.495 local terms energy: -450.137535 where: bonds (distance) C4'-P energy: -85.684 bonds (distance) P-C4' energy: -95.627 flat angles C4'-P-C4' energy: -94.895 flat angles P-C4'-P energy: -75.429 tors. eta vs tors. theta energy: -98.503 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: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -968.101682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.101682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.101682 (E_RNA) where: Base-Base interactions energy: -577.460 where: short stacking energy: -271.099 Base-Backbone interact. energy: -1.590 local terms energy: -389.051953 where: bonds (distance) C4'-P energy: -84.857 bonds (distance) P-C4' energy: -86.879 flat angles C4'-P-C4' energy: -96.732 flat angles P-C4'-P energy: -60.090 tors. eta vs tors. theta energy: -60.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -932.167102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.167102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.167102 (E_RNA) where: Base-Base interactions energy: -586.738 where: short stacking energy: -270.494 Base-Backbone interact. energy: 6.547 local terms energy: -351.975814 where: bonds (distance) C4'-P energy: -77.168 bonds (distance) P-C4' energy: -94.968 flat angles C4'-P-C4' energy: -83.219 flat angles P-C4'-P energy: -44.848 tors. eta vs tors. theta energy: -51.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -711.582339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.582339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.582339 (E_RNA) where: Base-Base interactions energy: -385.876 where: short stacking energy: -183.808 Base-Backbone interact. energy: -0.908 local terms energy: -324.798920 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -86.997 flat angles C4'-P-C4' energy: -71.214 flat angles P-C4'-P energy: -58.982 tors. eta vs tors. theta energy: -14.679 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: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -648.370793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.370793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.370793 (E_RNA) where: Base-Base interactions energy: -323.569 where: short stacking energy: -180.997 Base-Backbone interact. energy: 2.223 local terms energy: -327.025365 where: bonds (distance) C4'-P energy: -86.042 bonds (distance) P-C4' energy: -94.606 flat angles C4'-P-C4' energy: -70.744 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -25.063 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: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -635.048957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.048957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.048957 (E_RNA) where: Base-Base interactions energy: -339.491 where: short stacking energy: -174.821 Base-Backbone interact. energy: 1.467 local terms energy: -297.024230 where: bonds (distance) C4'-P energy: -90.181 bonds (distance) P-C4' energy: -73.175 flat angles C4'-P-C4' energy: -59.781 flat angles P-C4'-P energy: -42.152 tors. eta vs tors. theta energy: -31.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -531.889986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.889986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.889986 (E_RNA) where: Base-Base interactions energy: -260.578 where: short stacking energy: -148.696 Base-Backbone interact. energy: 1.400 local terms energy: -272.712305 where: bonds (distance) C4'-P energy: -79.926 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: 4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1443.690331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.690331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.690331 (E_RNA) where: Base-Base interactions energy: -947.920 where: short stacking energy: -442.307 Base-Backbone interact. energy: -5.080 local terms energy: -490.691228 where: bonds (distance) C4'-P energy: -97.041 bonds (distance) P-C4' energy: -99.241 flat angles C4'-P-C4' energy: -108.712 flat angles P-C4'-P energy: -61.458 tors. eta vs tors. theta energy: -124.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1336.850430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.850430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.850430 (E_RNA) where: Base-Base interactions energy: -877.049 where: short stacking energy: -405.654 Base-Backbone interact. energy: 0.367 local terms energy: -460.168515 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -95.972 flat angles C4'-P-C4' energy: -110.188 flat angles P-C4'-P energy: -61.839 tors. eta vs tors. theta energy: -116.826 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: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1243.114762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.114762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.114762 (E_RNA) where: Base-Base interactions energy: -798.589 where: short stacking energy: -360.031 Base-Backbone interact. energy: -2.524 local terms energy: -442.001423 where: bonds (distance) C4'-P energy: -98.018 bonds (distance) P-C4' energy: -95.281 flat angles C4'-P-C4' energy: -99.240 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1167.621271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.621271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.621271 (E_RNA) where: Base-Base interactions energy: -763.340 where: short stacking energy: -333.400 Base-Backbone interact. energy: -0.467 local terms energy: -403.815194 where: bonds (distance) C4'-P energy: -81.735 bonds (distance) P-C4' energy: -78.049 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -86.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -971.098908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.098908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.098908 (E_RNA) where: Base-Base interactions energy: -602.202 where: short stacking energy: -309.112 Base-Backbone interact. energy: -1.854 local terms energy: -367.042809 where: bonds (distance) C4'-P energy: -98.872 bonds (distance) P-C4' energy: -79.225 flat angles C4'-P-C4' energy: -84.415 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -56.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -981.762477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.762477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.762477 (E_RNA) where: Base-Base interactions energy: -597.136 where: short stacking energy: -298.705 Base-Backbone interact. energy: 1.656 local terms energy: -386.282844 where: bonds (distance) C4'-P energy: -75.298 bonds (distance) P-C4' energy: -97.121 flat angles C4'-P-C4' energy: -90.705 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: -68.723 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: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -705.043755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.043755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.043755 (E_RNA) where: Base-Base interactions energy: -375.349 where: short stacking energy: -195.585 Base-Backbone interact. energy: 2.885 local terms energy: -332.579885 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -81.971 flat angles C4'-P-C4' energy: -81.398 flat angles P-C4'-P energy: -49.206 tors. eta vs tors. theta energy: -23.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -622.639693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.639693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.639693 (E_RNA) where: Base-Base interactions energy: -333.817 where: short stacking energy: -188.766 Base-Backbone interact. energy: 0.639 local terms energy: -289.461432 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -82.322 flat angles C4'-P-C4' energy: -56.401 flat angles P-C4'-P energy: -62.652 tors. eta vs tors. theta energy: -13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -581.637320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.637320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.637320 (E_RNA) where: Base-Base interactions energy: -318.923 where: short stacking energy: -189.572 Base-Backbone interact. energy: -2.232 local terms energy: -260.482442 where: bonds (distance) C4'-P energy: -66.899 bonds (distance) P-C4' energy: -59.469 flat angles C4'-P-C4' energy: -58.207 flat angles P-C4'-P energy: -42.055 tors. eta vs tors. theta energy: -33.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -482.944226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.944226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.944226 (E_RNA) where: Base-Base interactions energy: -239.436 where: short stacking energy: -109.282 Base-Backbone interact. energy: 2.879 local terms energy: -246.387376 where: bonds (distance) C4'-P energy: -73.267 bonds (distance) P-C4' energy: -78.336 flat angles C4'-P-C4' energy: -67.248 flat angles P-C4'-P energy: -28.440 tors. eta vs tors. theta energy: 0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1455.331686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.331686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.331686 (E_RNA) where: Base-Base interactions energy: -972.885 where: short stacking energy: -440.984 Base-Backbone interact. energy: -2.421 local terms energy: -480.025273 where: bonds (distance) C4'-P energy: -82.816 bonds (distance) P-C4' energy: -102.556 flat angles C4'-P-C4' energy: -93.875 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -128.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1339.395835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.395835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.395835 (E_RNA) where: Base-Base interactions energy: -868.615 where: short stacking energy: -386.162 Base-Backbone interact. energy: -0.985 local terms energy: -469.795303 where: bonds (distance) C4'-P energy: -87.401 bonds (distance) P-C4' energy: -95.665 flat angles C4'-P-C4' energy: -102.514 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -115.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1260.271000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.271000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.271000 (E_RNA) where: Base-Base interactions energy: -811.600 where: short stacking energy: -380.319 Base-Backbone interact. energy: -1.611 local terms energy: -447.059581 where: bonds (distance) C4'-P energy: -97.895 bonds (distance) P-C4' energy: -91.947 flat angles C4'-P-C4' energy: -95.995 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -107.265 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: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1153.344395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.344395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.344395 (E_RNA) where: Base-Base interactions energy: -745.760 where: short stacking energy: -339.310 Base-Backbone interact. energy: -2.529 local terms energy: -405.055464 where: bonds (distance) C4'-P energy: -78.155 bonds (distance) P-C4' energy: -96.357 flat angles C4'-P-C4' energy: -88.846 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: -83.722 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: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -941.665389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.665389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.665389 (E_RNA) where: Base-Base interactions energy: -566.670 where: short stacking energy: -281.782 Base-Backbone interact. energy: -1.285 local terms energy: -373.709993 where: bonds (distance) C4'-P energy: -69.839 bonds (distance) P-C4' energy: -96.453 flat angles C4'-P-C4' energy: -96.461 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -54.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -929.949444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.949444 (E_RNA) where: Base-Base interactions energy: -567.688 where: short stacking energy: -277.239 Base-Backbone interact. energy: -1.175 local terms energy: -361.086897 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -75.359 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -49.085 tors. eta vs tors. theta energy: -63.117 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: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -698.121508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.121508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.121508 (E_RNA) where: Base-Base interactions energy: -377.614 where: short stacking energy: -212.761 Base-Backbone interact. energy: 0.349 local terms energy: -320.856808 where: bonds (distance) C4'-P energy: -85.612 bonds (distance) P-C4' energy: -86.590 flat angles C4'-P-C4' energy: -89.765 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: -20.365 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: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -654.998561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.998561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.998561 (E_RNA) where: Base-Base interactions energy: -353.915 where: short stacking energy: -163.520 Base-Backbone interact. energy: -2.260 local terms energy: -298.823778 where: bonds (distance) C4'-P energy: -87.980 bonds (distance) P-C4' energy: -84.161 flat angles C4'-P-C4' energy: -63.116 flat angles P-C4'-P energy: -48.917 tors. eta vs tors. theta energy: -14.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -591.795098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.795098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.795098 (E_RNA) where: Base-Base interactions energy: -311.973 where: short stacking energy: -180.535 Base-Backbone interact. energy: 2.922 local terms energy: -282.744093 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -76.872 flat angles C4'-P-C4' energy: -75.404 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -4.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -496.641178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.641178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.641178 (E_RNA) where: Base-Base interactions energy: -246.842 where: short stacking energy: -146.988 Base-Backbone interact. energy: 0.463 local terms energy: -250.262839 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -49.989 flat angles P-C4'-P energy: -41.918 tors. eta vs tors. theta energy: -10.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1451.438332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.438332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.438332 (E_RNA) where: Base-Base interactions energy: -966.682 where: short stacking energy: -456.105 Base-Backbone interact. energy: -6.069 local terms energy: -478.686818 where: bonds (distance) C4'-P energy: -96.778 bonds (distance) P-C4' energy: -81.017 flat angles C4'-P-C4' energy: -101.368 flat angles P-C4'-P energy: -59.414 tors. eta vs tors. theta energy: -140.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1349.495529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.495529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.495529 (E_RNA) where: Base-Base interactions energy: -886.684 where: short stacking energy: -398.982 Base-Backbone interact. energy: -0.890 local terms energy: -461.921774 where: bonds (distance) C4'-P energy: -86.464 bonds (distance) P-C4' energy: -95.627 flat angles C4'-P-C4' energy: -104.990 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -112.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1262.084070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.084070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.084070 (E_RNA) where: Base-Base interactions energy: -811.318 where: short stacking energy: -391.655 Base-Backbone interact. energy: -2.722 local terms energy: -448.043732 where: bonds (distance) C4'-P energy: -90.826 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -92.720 flat angles P-C4'-P energy: -64.156 tors. eta vs tors. theta energy: -109.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1195.661542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.661542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.661542 (E_RNA) where: Base-Base interactions energy: -776.017 where: short stacking energy: -367.425 Base-Backbone interact. energy: 0.748 local terms energy: -420.392807 where: bonds (distance) C4'-P energy: -81.645 bonds (distance) P-C4' energy: -83.561 flat angles C4'-P-C4' energy: -102.292 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -90.972 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: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -979.244070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.244070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.244070 (E_RNA) where: Base-Base interactions energy: -587.686 where: short stacking energy: -290.438 Base-Backbone interact. energy: 4.484 local terms energy: -396.042287 where: bonds (distance) C4'-P energy: -78.090 bonds (distance) P-C4' energy: -94.534 flat angles C4'-P-C4' energy: -97.890 flat angles P-C4'-P energy: -60.943 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: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -895.623919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.623919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.623919 (E_RNA) where: Base-Base interactions energy: -543.508 where: short stacking energy: -244.821 Base-Backbone interact. energy: 9.015 local terms energy: -361.130666 where: bonds (distance) C4'-P energy: -89.349 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -90.497 flat angles P-C4'-P energy: -58.133 tors. eta vs tors. theta energy: -37.686 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: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -768.603966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.603966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.603966 (E_RNA) where: Base-Base interactions energy: -451.535 where: short stacking energy: -220.758 Base-Backbone interact. energy: 0.964 local terms energy: -318.033312 where: bonds (distance) C4'-P energy: -84.505 bonds (distance) P-C4' energy: -81.096 flat angles C4'-P-C4' energy: -73.193 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -28.574 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: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -693.781049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.781049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.781049 (E_RNA) where: Base-Base interactions energy: -406.232 where: short stacking energy: -226.825 Base-Backbone interact. energy: 1.864 local terms energy: -289.412502 where: bonds (distance) C4'-P energy: -74.365 bonds (distance) P-C4' energy: -69.776 flat angles C4'-P-C4' energy: -75.303 flat angles P-C4'-P energy: -39.076 tors. eta vs tors. theta energy: -30.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -646.508357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.508357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.508357 (E_RNA) where: Base-Base interactions energy: -352.325 where: short stacking energy: -202.597 Base-Backbone interact. energy: 1.961 local terms energy: -296.144710 where: bonds (distance) C4'-P energy: -73.095 bonds (distance) P-C4' energy: -70.686 flat angles C4'-P-C4' energy: -78.038 flat angles P-C4'-P energy: -39.585 tors. eta vs tors. theta energy: -34.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -515.389039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.389039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.389039 (E_RNA) where: Base-Base interactions energy: -255.745 where: short stacking energy: -139.154 Base-Backbone interact. energy: 1.145 local terms energy: -260.788581 where: bonds (distance) C4'-P energy: -74.355 bonds (distance) P-C4' energy: -95.283 flat angles C4'-P-C4' energy: -66.461 flat angles P-C4'-P energy: -32.497 tors. eta vs tors. theta energy: 7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1462.037830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.037830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.037830 (E_RNA) where: Base-Base interactions energy: -958.610 where: short stacking energy: -441.353 Base-Backbone interact. energy: -3.249 local terms energy: -500.178535 where: bonds (distance) C4'-P energy: -103.773 bonds (distance) P-C4' energy: -92.424 flat angles C4'-P-C4' energy: -97.682 flat angles P-C4'-P energy: -74.443 tors. eta vs tors. theta energy: -131.856 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: 99 Temperature: 0.950000 Total energy: -1347.550333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.550333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.550333 (E_RNA) where: Base-Base interactions energy: -876.821 where: short stacking energy: -409.706 Base-Backbone interact. energy: -3.698 local terms energy: -467.032245 where: bonds (distance) C4'-P energy: -87.186 bonds (distance) P-C4' energy: -100.644 flat angles C4'-P-C4' energy: -92.736 flat angles P-C4'-P energy: -66.564 tors. eta vs tors. theta energy: -119.903 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: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1237.250031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.250031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.250031 (E_RNA) where: Base-Base interactions energy: -786.927 where: short stacking energy: -368.276 Base-Backbone interact. energy: 0.840 local terms energy: -451.163272 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -99.012 flat angles C4'-P-C4' energy: -98.532 flat angles P-C4'-P energy: -67.679 tors. eta vs tors. theta energy: -92.819 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: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1176.519196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.519196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.519196 (E_RNA) where: Base-Base interactions energy: -780.798 where: short stacking energy: -336.122 Base-Backbone interact. energy: 5.259 local terms energy: -400.980029 where: bonds (distance) C4'-P energy: -80.802 bonds (distance) P-C4' energy: -87.706 flat angles C4'-P-C4' energy: -95.927 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -79.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -983.500505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.500505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.500505 (E_RNA) where: Base-Base interactions energy: -606.245 where: short stacking energy: -323.197 Base-Backbone interact. energy: -2.929 local terms energy: -374.326288 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -84.259 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: -80.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -907.218205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.218205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.218205 (E_RNA) where: Base-Base interactions energy: -577.298 where: short stacking energy: -250.057 Base-Backbone interact. energy: -1.024 local terms energy: -328.897011 where: bonds (distance) C4'-P energy: -82.641 bonds (distance) P-C4' energy: -87.114 flat angles C4'-P-C4' energy: -78.437 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -37.585 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: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -795.507733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.507733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.507733 (E_RNA) where: Base-Base interactions energy: -468.218 where: short stacking energy: -227.959 Base-Backbone interact. energy: 1.570 local terms energy: -328.859758 where: bonds (distance) C4'-P energy: -78.262 bonds (distance) P-C4' energy: -91.287 flat angles C4'-P-C4' energy: -85.655 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -15.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -636.461048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.461048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.461048 (E_RNA) where: Base-Base interactions energy: -335.300 where: short stacking energy: -196.867 Base-Backbone interact. energy: 1.319 local terms energy: -302.480653 where: bonds (distance) C4'-P energy: -78.198 bonds (distance) P-C4' energy: -75.818 flat angles C4'-P-C4' energy: -82.489 flat angles P-C4'-P energy: -40.215 tors. eta vs tors. theta energy: -25.760 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: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -608.153113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.153113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.153113 (E_RNA) where: Base-Base interactions energy: -334.866 where: short stacking energy: -198.502 Base-Backbone interact. energy: -1.223 local terms energy: -272.063546 where: bonds (distance) C4'-P energy: -58.570 bonds (distance) P-C4' energy: -102.565 flat angles C4'-P-C4' energy: -71.937 flat angles P-C4'-P energy: -20.166 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: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -546.304160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.304160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.304160 (E_RNA) where: Base-Base interactions energy: -271.283 where: short stacking energy: -164.710 Base-Backbone interact. energy: -0.607 local terms energy: -274.414431 where: bonds (distance) C4'-P energy: -71.692 bonds (distance) P-C4' energy: -79.844 flat angles C4'-P-C4' energy: -79.518 flat angles P-C4'-P energy: -32.992 tors. eta vs tors. theta energy: -10.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1483.328442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.328442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.328442 (E_RNA) where: Base-Base interactions energy: -992.755 where: short stacking energy: -460.397 Base-Backbone interact. energy: 6.397 local terms energy: -496.969818 where: bonds (distance) C4'-P energy: -88.994 bonds (distance) P-C4' energy: -101.900 flat angles C4'-P-C4' energy: -98.541 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: -127.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1370.205899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.205899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.205899 (E_RNA) where: Base-Base interactions energy: -876.997 where: short stacking energy: -417.192 Base-Backbone interact. energy: -2.279 local terms energy: -490.930006 where: bonds (distance) C4'-P energy: -90.590 bonds (distance) P-C4' energy: -94.924 flat angles C4'-P-C4' energy: -106.009 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -125.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1251.954969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.954969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.954969 (E_RNA) where: Base-Base interactions energy: -818.583 where: short stacking energy: -351.440 Base-Backbone interact. energy: -5.278 local terms energy: -428.094563 where: bonds (distance) C4'-P energy: -100.548 bonds (distance) P-C4' energy: -94.466 flat angles C4'-P-C4' energy: -87.896 flat angles P-C4'-P energy: -55.768 tors. eta vs tors. theta energy: -89.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1206.908164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.908164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.908164 (E_RNA) where: Base-Base interactions energy: -769.432 where: short stacking energy: -355.752 Base-Backbone interact. energy: -4.773 local terms energy: -432.702861 where: bonds (distance) C4'-P energy: -81.141 bonds (distance) P-C4' energy: -93.793 flat angles C4'-P-C4' energy: -107.053 flat angles P-C4'-P energy: -57.377 tors. eta vs tors. theta energy: -93.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -986.328406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.328406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.328406 (E_RNA) where: Base-Base interactions energy: -604.911 where: short stacking energy: -314.144 Base-Backbone interact. energy: -1.231 local terms energy: -380.185531 where: bonds (distance) C4'-P energy: -76.314 bonds (distance) P-C4' energy: -93.493 flat angles C4'-P-C4' energy: -98.601 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -62.205 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: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1040.640057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.640057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.640057 (E_RNA) where: Base-Base interactions energy: -651.914 where: short stacking energy: -314.747 Base-Backbone interact. energy: 2.454 local terms energy: -391.179895 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -71.835 flat angles C4'-P-C4' energy: -96.104 flat angles P-C4'-P energy: -56.026 tors. eta vs tors. theta energy: -77.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -775.294677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.294677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.294677 (E_RNA) where: Base-Base interactions energy: -446.686 where: short stacking energy: -202.516 Base-Backbone interact. energy: -1.313 local terms energy: -327.294902 where: bonds (distance) C4'-P energy: -86.793 bonds (distance) P-C4' energy: -85.908 flat angles C4'-P-C4' energy: -75.044 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -28.283 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: 100 Temperature: 1.250000 Total energy: -663.847919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.847919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.847919 (E_RNA) where: Base-Base interactions energy: -382.465 where: short stacking energy: -221.649 Base-Backbone interact. energy: 1.780 local terms energy: -283.163030 where: bonds (distance) C4'-P energy: -84.720 bonds (distance) P-C4' energy: -67.767 flat angles C4'-P-C4' energy: -63.573 flat angles P-C4'-P energy: -44.544 tors. eta vs tors. theta energy: -22.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -566.442318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.442318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.442318 (E_RNA) where: Base-Base interactions energy: -308.063 where: short stacking energy: -171.073 Base-Backbone interact. energy: 2.296 local terms energy: -260.674965 where: bonds (distance) C4'-P energy: -77.199 bonds (distance) P-C4' energy: -85.588 flat angles C4'-P-C4' energy: -59.426 flat angles P-C4'-P energy: -35.656 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -506.952359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.952359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.952359 (E_RNA) where: Base-Base interactions energy: -245.781 where: short stacking energy: -145.119 Base-Backbone interact. energy: -0.625 local terms energy: -260.546053 where: bonds (distance) C4'-P energy: -62.163 bonds (distance) P-C4' energy: -85.314 flat angles C4'-P-C4' energy: -69.529 flat angles P-C4'-P energy: -36.645 tors. eta vs tors. theta energy: -6.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1513.579615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.579615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.579615 (E_RNA) where: Base-Base interactions energy: -993.708 where: short stacking energy: -468.109 Base-Backbone interact. energy: -3.505 local terms energy: -516.366074 where: bonds (distance) C4'-P energy: -91.668 bonds (distance) P-C4' energy: -103.619 flat angles C4'-P-C4' energy: -114.400 flat angles P-C4'-P energy: -71.298 tors. eta vs tors. theta energy: -135.380 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: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1370.126693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.126693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.126693 (E_RNA) where: Base-Base interactions energy: -869.720 where: short stacking energy: -397.864 Base-Backbone interact. energy: -3.646 local terms energy: -496.760033 where: bonds (distance) C4'-P energy: -92.576 bonds (distance) P-C4' energy: -104.042 flat angles C4'-P-C4' energy: -98.427 flat angles P-C4'-P energy: -71.094 tors. eta vs tors. theta energy: -130.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1301.868662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.868662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.868662 (E_RNA) where: Base-Base interactions energy: -867.219 where: short stacking energy: -374.109 Base-Backbone interact. energy: -2.342 local terms energy: -432.308033 where: bonds (distance) C4'-P energy: -86.761 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -101.292 flat angles P-C4'-P energy: -58.128 tors. eta vs tors. theta energy: -87.427 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1135.803138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.803138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.803138 (E_RNA) where: Base-Base interactions energy: -707.490 where: short stacking energy: -352.043 Base-Backbone interact. energy: -3.901 local terms energy: -424.412557 where: bonds (distance) C4'-P energy: -89.588 bonds (distance) P-C4' energy: -102.391 flat angles C4'-P-C4' energy: -81.034 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -82.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1003.797090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.797090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.797090 (E_RNA) where: Base-Base interactions energy: -619.635 where: short stacking energy: -316.757 Base-Backbone interact. energy: -1.729 local terms energy: -382.432550 where: bonds (distance) C4'-P energy: -75.118 bonds (distance) P-C4' energy: -79.440 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -62.255 tors. eta vs tors. theta energy: -76.701 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: 101 Temperature: 1.150000 Total energy: -1009.796446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.796446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.796446 (E_RNA) where: Base-Base interactions energy: -632.881 where: short stacking energy: -273.640 Base-Backbone interact. energy: 0.206 local terms energy: -377.121413 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -82.792 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -62.760 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: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -754.638241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.638241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.638241 (E_RNA) where: Base-Base interactions energy: -418.385 where: short stacking energy: -222.374 Base-Backbone interact. energy: 6.900 local terms energy: -343.152615 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -84.881 flat angles C4'-P-C4' energy: -86.498 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -36.393 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: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -685.565267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.565267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.565267 (E_RNA) where: Base-Base interactions energy: -384.339 where: short stacking energy: -210.229 Base-Backbone interact. energy: 0.136 local terms energy: -301.362281 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -76.218 flat angles C4'-P-C4' energy: -57.519 flat angles P-C4'-P energy: -44.323 tors. eta vs tors. theta energy: -36.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -619.038476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.038476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.038476 (E_RNA) where: Base-Base interactions energy: -339.841 where: short stacking energy: -199.761 Base-Backbone interact. energy: 5.634 local terms energy: -284.831485 where: bonds (distance) C4'-P energy: -89.179 bonds (distance) P-C4' energy: -67.801 flat angles C4'-P-C4' energy: -75.252 flat angles P-C4'-P energy: -33.356 tors. eta vs tors. theta energy: -19.244 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -446.624190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.624190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.624190 (E_RNA) where: Base-Base interactions energy: -188.468 where: short stacking energy: -128.174 Base-Backbone interact. energy: 3.983 local terms energy: -262.139533 where: bonds (distance) C4'-P energy: -60.177 bonds (distance) P-C4' energy: -82.097 flat angles C4'-P-C4' energy: -77.721 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: 7.191 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: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1520.097822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.097822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.097822 (E_RNA) where: Base-Base interactions energy: -1007.797 where: short stacking energy: -453.298 Base-Backbone interact. energy: -4.324 local terms energy: -507.977145 where: bonds (distance) C4'-P energy: -93.491 bonds (distance) P-C4' energy: -104.524 flat angles C4'-P-C4' energy: -107.560 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -130.130 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: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1391.336376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.336376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.336376 (E_RNA) where: Base-Base interactions energy: -892.479 where: short stacking energy: -452.399 Base-Backbone interact. energy: -4.169 local terms energy: -494.687492 where: bonds (distance) C4'-P energy: -91.373 bonds (distance) P-C4' energy: -92.820 flat angles C4'-P-C4' energy: -114.733 flat angles P-C4'-P energy: -64.964 tors. eta vs tors. theta energy: -130.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1257.033668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.033668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.033668 (E_RNA) where: Base-Base interactions energy: -847.579 where: short stacking energy: -366.764 Base-Backbone interact. energy: -1.445 local terms energy: -408.008842 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -94.670 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -73.987 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: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1104.068147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.068147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.068147 (E_RNA) where: Base-Base interactions energy: -694.124 where: short stacking energy: -362.058 Base-Backbone interact. energy: -4.290 local terms energy: -405.653902 where: bonds (distance) C4'-P energy: -90.585 bonds (distance) P-C4' energy: -89.807 flat angles C4'-P-C4' energy: -95.148 flat angles P-C4'-P energy: -42.695 tors. eta vs tors. theta energy: -87.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -993.560245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.560245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.560245 (E_RNA) where: Base-Base interactions energy: -621.139 where: short stacking energy: -299.681 Base-Backbone interact. energy: -0.550 local terms energy: -371.871085 where: bonds (distance) C4'-P energy: -80.396 bonds (distance) P-C4' energy: -84.956 flat angles C4'-P-C4' energy: -96.645 flat angles P-C4'-P energy: -55.016 tors. eta vs tors. theta energy: -54.858 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: 9 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -961.632849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.632849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.632849 (E_RNA) where: Base-Base interactions energy: -577.780 where: short stacking energy: -261.223 Base-Backbone interact. energy: 0.315 local terms energy: -384.167806 where: bonds (distance) C4'-P energy: -80.546 bonds (distance) P-C4' energy: -97.652 flat angles C4'-P-C4' energy: -91.070 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -66.650 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: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -720.592898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.592898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.592898 (E_RNA) where: Base-Base interactions energy: -403.542 where: short stacking energy: -222.104 Base-Backbone interact. energy: 2.071 local terms energy: -319.122249 where: bonds (distance) C4'-P energy: -77.861 bonds (distance) P-C4' energy: -68.792 flat angles C4'-P-C4' energy: -70.658 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -37.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -682.735710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.735710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.735710 (E_RNA) where: Base-Base interactions energy: -382.423 where: short stacking energy: -208.212 Base-Backbone interact. energy: -0.118 local terms energy: -300.194091 where: bonds (distance) C4'-P energy: -92.633 bonds (distance) P-C4' energy: -72.772 flat angles C4'-P-C4' energy: -80.224 flat angles P-C4'-P energy: -50.398 tors. eta vs tors. theta energy: -4.167 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: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -631.246412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.246412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.246412 (E_RNA) where: Base-Base interactions energy: -329.906 where: short stacking energy: -186.246 Base-Backbone interact. energy: 1.925 local terms energy: -303.265626 where: bonds (distance) C4'-P energy: -87.633 bonds (distance) P-C4' energy: -82.726 flat angles C4'-P-C4' energy: -71.299 flat angles P-C4'-P energy: -45.964 tors. eta vs tors. theta energy: -15.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -470.527852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.527852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.527852 (E_RNA) where: Base-Base interactions energy: -232.416 where: short stacking energy: -139.609 Base-Backbone interact. energy: 0.833 local terms energy: -238.944621 where: bonds (distance) C4'-P energy: -69.346 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -81.345 flat angles P-C4'-P energy: -23.626 tors. eta vs tors. theta energy: 6.172 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: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1465.358463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.358463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.358463 (E_RNA) where: Base-Base interactions energy: -968.352 where: short stacking energy: -453.605 Base-Backbone interact. energy: 0.631 local terms energy: -497.637321 where: bonds (distance) C4'-P energy: -92.336 bonds (distance) P-C4' energy: -95.387 flat angles C4'-P-C4' energy: -109.870 flat angles P-C4'-P energy: -66.751 tors. eta vs tors. theta energy: -133.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1362.250529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.250529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.250529 (E_RNA) where: Base-Base interactions energy: -907.822 where: short stacking energy: -425.623 Base-Backbone interact. energy: -2.912 local terms energy: -451.516913 where: bonds (distance) C4'-P energy: -85.874 bonds (distance) P-C4' energy: -89.059 flat angles C4'-P-C4' energy: -91.789 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -110.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1248.154792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.154792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.154792 (E_RNA) where: Base-Base interactions energy: -813.060 where: short stacking energy: -330.018 Base-Backbone interact. energy: -1.481 local terms energy: -433.613958 where: bonds (distance) C4'-P energy: -97.385 bonds (distance) P-C4' energy: -92.179 flat angles C4'-P-C4' energy: -92.460 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -81.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1094.947788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.947788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.947788 (E_RNA) where: Base-Base interactions energy: -659.362 where: short stacking energy: -325.561 Base-Backbone interact. energy: 2.629 local terms energy: -438.215026 where: bonds (distance) C4'-P energy: -105.351 bonds (distance) P-C4' energy: -93.282 flat angles C4'-P-C4' energy: -89.294 flat angles P-C4'-P energy: -63.306 tors. eta vs tors. theta energy: -86.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1017.079178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.079178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.079178 (E_RNA) where: Base-Base interactions energy: -643.490 where: short stacking energy: -272.753 Base-Backbone interact. energy: 1.107 local terms energy: -374.695927 where: bonds (distance) C4'-P energy: -80.234 bonds (distance) P-C4' energy: -94.335 flat angles C4'-P-C4' energy: -87.047 flat angles P-C4'-P energy: -58.966 tors. eta vs tors. theta energy: -54.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -939.203216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.203216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.203216 (E_RNA) where: Base-Base interactions energy: -574.227 where: short stacking energy: -303.575 Base-Backbone interact. energy: 3.680 local terms energy: -368.656114 where: bonds (distance) C4'-P energy: -76.071 bonds (distance) P-C4' energy: -90.074 flat angles C4'-P-C4' energy: -78.595 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -67.872 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: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -796.382575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.382575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.382575 (E_RNA) where: Base-Base interactions energy: -473.182 where: short stacking energy: -221.736 Base-Backbone interact. energy: -2.893 local terms energy: -320.308299 where: bonds (distance) C4'-P energy: -74.521 bonds (distance) P-C4' energy: -96.070 flat angles C4'-P-C4' energy: -73.018 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -29.702 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: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -661.085191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.085191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.085191 (E_RNA) where: Base-Base interactions energy: -364.614 where: short stacking energy: -180.851 Base-Backbone interact. energy: 5.783 local terms energy: -302.254408 where: bonds (distance) C4'-P energy: -74.710 bonds (distance) P-C4' energy: -90.561 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -39.603 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -644.371982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.371982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.371982 (E_RNA) where: Base-Base interactions energy: -394.529 where: short stacking energy: -209.238 Base-Backbone interact. energy: -0.128 local terms energy: -249.714739 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -75.658 flat angles P-C4'-P energy: -27.675 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: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -485.599987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.599987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.599987 (E_RNA) where: Base-Base interactions energy: -224.272 where: short stacking energy: -131.481 Base-Backbone interact. energy: 1.179 local terms energy: -262.507716 where: bonds (distance) C4'-P energy: -69.396 bonds (distance) P-C4' energy: -79.503 flat angles C4'-P-C4' energy: -81.909 flat angles P-C4'-P energy: -38.087 tors. eta vs tors. theta energy: 6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1457.879884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.879884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.879884 (E_RNA) where: Base-Base interactions energy: -950.782 where: short stacking energy: -457.033 Base-Backbone interact. energy: -4.333 local terms energy: -502.764757 where: bonds (distance) C4'-P energy: -85.100 bonds (distance) P-C4' energy: -107.089 flat angles C4'-P-C4' energy: -105.641 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -133.473 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: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1362.473530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.473530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.473530 (E_RNA) where: Base-Base interactions energy: -894.466 where: short stacking energy: -421.810 Base-Backbone interact. energy: -0.886 local terms energy: -467.121630 where: bonds (distance) C4'-P energy: -87.621 bonds (distance) P-C4' energy: -93.224 flat angles C4'-P-C4' energy: -99.896 flat angles P-C4'-P energy: -71.063 tors. eta vs tors. theta energy: -115.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1307.856872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.856872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.856872 (E_RNA) where: Base-Base interactions energy: -874.123 where: short stacking energy: -385.975 Base-Backbone interact. energy: -3.389 local terms energy: -430.345372 where: bonds (distance) C4'-P energy: -86.142 bonds (distance) P-C4' energy: -90.626 flat angles C4'-P-C4' energy: -92.333 flat angles P-C4'-P energy: -66.953 tors. eta vs tors. theta energy: -94.292 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1128.052579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.052579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.052579 (E_RNA) where: Base-Base interactions energy: -714.885 where: short stacking energy: -351.139 Base-Backbone interact. energy: 1.072 local terms energy: -414.239616 where: bonds (distance) C4'-P energy: -69.737 bonds (distance) P-C4' energy: -100.918 flat angles C4'-P-C4' energy: -92.144 flat angles P-C4'-P energy: -63.176 tors. eta vs tors. theta energy: -88.265 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: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1027.794862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.794862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.794862 (E_RNA) where: Base-Base interactions energy: -637.978 where: short stacking energy: -314.668 Base-Backbone interact. energy: -1.189 local terms energy: -388.627955 where: bonds (distance) C4'-P energy: -78.075 bonds (distance) P-C4' energy: -75.953 flat angles C4'-P-C4' energy: -96.929 flat angles P-C4'-P energy: -66.490 tors. eta vs tors. theta energy: -71.182 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: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -930.688844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.688844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.688844 (E_RNA) where: Base-Base interactions energy: -549.133 where: short stacking energy: -262.046 Base-Backbone interact. energy: -1.064 local terms energy: -380.491107 where: bonds (distance) C4'-P energy: -97.378 bonds (distance) P-C4' energy: -91.742 flat angles C4'-P-C4' energy: -97.906 flat angles P-C4'-P energy: -47.865 tors. eta vs tors. theta energy: -45.600 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: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -793.405924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.405924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.405924 (E_RNA) where: Base-Base interactions energy: -477.970 where: short stacking energy: -235.770 Base-Backbone interact. energy: 0.825 local terms energy: -316.260347 where: bonds (distance) C4'-P energy: -73.756 bonds (distance) P-C4' energy: -77.968 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -58.933 tors. eta vs tors. theta energy: -28.516 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: 104 Temperature: 1.250000 Total energy: -663.022774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.022774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.022774 (E_RNA) where: Base-Base interactions energy: -352.394 where: short stacking energy: -183.623 Base-Backbone interact. energy: 5.559 local terms energy: -316.187534 where: bonds (distance) C4'-P energy: -91.690 bonds (distance) P-C4' energy: -87.056 flat angles C4'-P-C4' energy: -77.612 flat angles P-C4'-P energy: -38.762 tors. eta vs tors. theta energy: -21.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -541.936012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.936012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.936012 (E_RNA) where: Base-Base interactions energy: -288.188 where: short stacking energy: -160.431 Base-Backbone interact. energy: -0.236 local terms energy: -253.511417 where: bonds (distance) C4'-P energy: -70.704 bonds (distance) P-C4' energy: -71.924 flat angles C4'-P-C4' energy: -74.776 flat angles P-C4'-P energy: -42.013 tors. eta vs tors. theta energy: 5.906 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: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -590.719687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.719687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.719687 (E_RNA) where: Base-Base interactions energy: -314.444 where: short stacking energy: -139.270 Base-Backbone interact. energy: -2.634 local terms energy: -273.641857 where: bonds (distance) C4'-P energy: -78.188 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -50.747 flat angles P-C4'-P energy: -56.918 tors. eta vs tors. theta energy: 2.342 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: 105 Temperature: 0.900000 Total energy: -1483.412258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.412258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.412258 (E_RNA) where: Base-Base interactions energy: -955.070 where: short stacking energy: -467.383 Base-Backbone interact. energy: -3.806 local terms energy: -524.536012 where: bonds (distance) C4'-P energy: -101.817 bonds (distance) P-C4' energy: -101.217 flat angles C4'-P-C4' energy: -107.508 flat angles P-C4'-P energy: -71.012 tors. eta vs tors. theta energy: -142.981 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: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1364.142772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.142772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.142772 (E_RNA) where: Base-Base interactions energy: -890.379 where: short stacking energy: -441.773 Base-Backbone interact. energy: -3.185 local terms energy: -470.579026 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -95.286 flat angles C4'-P-C4' energy: -104.657 flat angles P-C4'-P energy: -60.555 tors. eta vs tors. theta energy: -129.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1330.914895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.914895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.914895 (E_RNA) where: Base-Base interactions energy: -900.885 where: short stacking energy: -396.196 Base-Backbone interact. energy: 4.150 local terms energy: -434.179363 where: bonds (distance) C4'-P energy: -87.197 bonds (distance) P-C4' energy: -93.488 flat angles C4'-P-C4' energy: -83.023 flat angles P-C4'-P energy: -69.601 tors. eta vs tors. theta energy: -100.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1141.623627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.623627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.623627 (E_RNA) where: Base-Base interactions energy: -718.735 where: short stacking energy: -365.486 Base-Backbone interact. energy: 2.679 local terms energy: -425.567984 where: bonds (distance) C4'-P energy: -92.080 bonds (distance) P-C4' energy: -74.620 flat angles C4'-P-C4' energy: -99.566 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -92.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -997.083026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.083026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.083026 (E_RNA) where: Base-Base interactions energy: -616.660 where: short stacking energy: -305.342 Base-Backbone interact. energy: 1.450 local terms energy: -381.872507 where: bonds (distance) C4'-P energy: -83.959 bonds (distance) P-C4' energy: -89.787 flat angles C4'-P-C4' energy: -81.726 flat angles P-C4'-P energy: -53.769 tors. eta vs tors. theta energy: -72.631 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: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -941.238477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.238477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.238477 (E_RNA) where: Base-Base interactions energy: -569.746 where: short stacking energy: -286.481 Base-Backbone interact. energy: 0.917 local terms energy: -372.409285 where: bonds (distance) C4'-P energy: -79.915 bonds (distance) P-C4' energy: -87.084 flat angles C4'-P-C4' energy: -89.178 flat angles P-C4'-P energy: -59.160 tors. eta vs tors. theta energy: -57.073 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -770.183562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.183562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.183562 (E_RNA) where: Base-Base interactions energy: -451.869 where: short stacking energy: -211.886 Base-Backbone interact. energy: 0.065 local terms energy: -318.379429 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -75.563 flat angles C4'-P-C4' energy: -78.889 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -27.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -578.887584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.887584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.887584 (E_RNA) where: Base-Base interactions energy: -283.445 where: short stacking energy: -149.763 Base-Backbone interact. energy: 0.963 local terms energy: -296.405547 where: bonds (distance) C4'-P energy: -64.633 bonds (distance) P-C4' energy: -89.588 flat angles C4'-P-C4' energy: -76.107 flat angles P-C4'-P energy: -48.371 tors. eta vs tors. theta energy: -17.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -592.487518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.487518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.487518 (E_RNA) where: Base-Base interactions energy: -293.333 where: short stacking energy: -177.510 Base-Backbone interact. energy: -0.220 local terms energy: -298.935231 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -66.509 flat angles P-C4'-P energy: -46.139 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: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -573.186334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.186334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.186334 (E_RNA) where: Base-Base interactions energy: -317.591 where: short stacking energy: -173.389 Base-Backbone interact. energy: -0.082 local terms energy: -255.513832 where: bonds (distance) C4'-P energy: -72.065 bonds (distance) P-C4' energy: -62.580 flat angles C4'-P-C4' energy: -65.432 flat angles P-C4'-P energy: -43.412 tors. eta vs tors. theta energy: -12.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1459.309626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.309626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.309626 (E_RNA) where: Base-Base interactions energy: -949.481 where: short stacking energy: -468.615 Base-Backbone interact. energy: -4.169 local terms energy: -505.659512 where: bonds (distance) C4'-P energy: -93.180 bonds (distance) P-C4' energy: -103.174 flat angles C4'-P-C4' energy: -102.175 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -140.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1379.217715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.217715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.217715 (E_RNA) where: Base-Base interactions energy: -905.515 where: short stacking energy: -401.542 Base-Backbone interact. energy: -4.282 local terms energy: -469.420605 where: bonds (distance) C4'-P energy: -74.575 bonds (distance) P-C4' energy: -99.301 flat angles C4'-P-C4' energy: -99.388 flat angles P-C4'-P energy: -69.019 tors. eta vs tors. theta energy: -127.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1243.679539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.679539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.679539 (E_RNA) where: Base-Base interactions energy: -806.890 where: short stacking energy: -354.014 Base-Backbone interact. energy: -1.228 local terms energy: -435.560881 where: bonds (distance) C4'-P energy: -92.016 bonds (distance) P-C4' energy: -96.181 flat angles C4'-P-C4' energy: -91.538 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -85.486 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: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1189.868613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.868613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.868613 (E_RNA) where: Base-Base interactions energy: -761.309 where: short stacking energy: -360.087 Base-Backbone interact. energy: -3.375 local terms energy: -425.184443 where: bonds (distance) C4'-P energy: -86.357 bonds (distance) P-C4' energy: -95.861 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -60.959 tors. eta vs tors. theta energy: -83.267 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: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1053.793459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.793459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.793459 (E_RNA) where: Base-Base interactions energy: -670.752 where: short stacking energy: -342.744 Base-Backbone interact. energy: 0.466 local terms energy: -383.506731 where: bonds (distance) C4'-P energy: -88.197 bonds (distance) P-C4' energy: -80.424 flat angles C4'-P-C4' energy: -82.460 flat angles P-C4'-P energy: -54.292 tors. eta vs tors. theta energy: -78.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -924.763897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.763897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.763897 (E_RNA) where: Base-Base interactions energy: -602.239 where: short stacking energy: -270.636 Base-Backbone interact. energy: 2.989 local terms energy: -325.513907 where: bonds (distance) C4'-P energy: -85.928 bonds (distance) P-C4' energy: -95.168 flat angles C4'-P-C4' energy: -73.324 flat angles P-C4'-P energy: -27.480 tors. eta vs tors. theta energy: -43.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -760.015174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.015174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.015174 (E_RNA) where: Base-Base interactions energy: -448.063 where: short stacking energy: -232.088 Base-Backbone interact. energy: 1.021 local terms energy: -312.973809 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -83.679 flat angles C4'-P-C4' energy: -68.284 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -36.228 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: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -570.575912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.575912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.575912 (E_RNA) where: Base-Base interactions energy: -265.259 where: short stacking energy: -127.118 Base-Backbone interact. energy: -0.155 local terms energy: -305.162257 where: bonds (distance) C4'-P energy: -85.070 bonds (distance) P-C4' energy: -88.726 flat angles C4'-P-C4' energy: -87.058 flat angles P-C4'-P energy: -46.735 tors. eta vs tors. theta energy: 2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -634.858458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.858458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.858458 (E_RNA) where: Base-Base interactions energy: -324.511 where: short stacking energy: -171.220 Base-Backbone interact. energy: 2.225 local terms energy: -312.572592 where: bonds (distance) C4'-P energy: -93.395 bonds (distance) P-C4' energy: -92.391 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -34.789 tors. eta vs tors. theta energy: -11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -485.716329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.716329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.716329 (E_RNA) where: Base-Base interactions energy: -251.552 where: short stacking energy: -128.128 Base-Backbone interact. energy: 0.550 local terms energy: -234.713599 where: bonds (distance) C4'-P energy: -80.244 bonds (distance) P-C4' energy: -85.355 flat angles C4'-P-C4' energy: -57.343 flat angles P-C4'-P energy: -37.980 tors. eta vs tors. theta energy: 26.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1448.500084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.500084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.500084 (E_RNA) where: Base-Base interactions energy: -948.987 where: short stacking energy: -441.762 Base-Backbone interact. energy: -0.210 local terms energy: -499.303018 where: bonds (distance) C4'-P energy: -101.040 bonds (distance) P-C4' energy: -100.461 flat angles C4'-P-C4' energy: -96.828 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -132.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1379.381662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.381662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.381662 (E_RNA) where: Base-Base interactions energy: -905.707 where: short stacking energy: -433.762 Base-Backbone interact. energy: -0.052 local terms energy: -473.622716 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -98.822 flat angles C4'-P-C4' energy: -88.883 flat angles P-C4'-P energy: -60.194 tors. eta vs tors. theta energy: -131.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1233.516393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.516393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.516393 (E_RNA) where: Base-Base interactions energy: -805.969 where: short stacking energy: -352.274 Base-Backbone interact. energy: -1.614 local terms energy: -425.933098 where: bonds (distance) C4'-P energy: -85.578 bonds (distance) P-C4' energy: -100.641 flat angles C4'-P-C4' energy: -96.476 flat angles P-C4'-P energy: -56.799 tors. eta vs tors. theta energy: -86.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1153.301439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.301439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.301439 (E_RNA) where: Base-Base interactions energy: -745.185 where: short stacking energy: -368.886 Base-Backbone interact. energy: 0.354 local terms energy: -408.469950 where: bonds (distance) C4'-P energy: -83.618 bonds (distance) P-C4' energy: -77.308 flat angles C4'-P-C4' energy: -94.333 flat angles P-C4'-P energy: -63.614 tors. eta vs tors. theta energy: -89.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1040.727110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.727110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.727110 (E_RNA) where: Base-Base interactions energy: -639.259 where: short stacking energy: -301.977 Base-Backbone interact. energy: -2.907 local terms energy: -398.561341 where: bonds (distance) C4'-P energy: -77.348 bonds (distance) P-C4' energy: -98.287 flat angles C4'-P-C4' energy: -92.397 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -64.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -984.864342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.864342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.864342 (E_RNA) where: Base-Base interactions energy: -611.493 where: short stacking energy: -280.955 Base-Backbone interact. energy: 1.530 local terms energy: -374.901016 where: bonds (distance) C4'-P energy: -82.695 bonds (distance) P-C4' energy: -82.626 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -57.222 tors. eta vs tors. theta energy: -60.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -765.126981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.126981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.126981 (E_RNA) where: Base-Base interactions energy: -419.926 where: short stacking energy: -229.210 Base-Backbone interact. energy: 2.673 local terms energy: -347.874052 where: bonds (distance) C4'-P energy: -80.587 bonds (distance) P-C4' energy: -79.493 flat angles C4'-P-C4' energy: -89.244 flat angles P-C4'-P energy: -56.028 tors. eta vs tors. theta energy: -42.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -591.225462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.225462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.225462 (E_RNA) where: Base-Base interactions energy: -295.940 where: short stacking energy: -178.531 Base-Backbone interact. energy: -1.417 local terms energy: -293.868867 where: bonds (distance) C4'-P energy: -84.861 bonds (distance) P-C4' energy: -75.686 flat angles C4'-P-C4' energy: -68.549 flat angles P-C4'-P energy: -44.883 tors. eta vs tors. theta energy: -19.890 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: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -619.422962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.422962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.422962 (E_RNA) where: Base-Base interactions energy: -313.049 where: short stacking energy: -184.826 Base-Backbone interact. energy: -2.304 local terms energy: -304.070309 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -88.279 flat angles C4'-P-C4' energy: -71.152 flat angles P-C4'-P energy: -45.388 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: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -478.248392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.248392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.248392 (E_RNA) where: Base-Base interactions energy: -209.467 where: short stacking energy: -130.377 Base-Backbone interact. energy: -1.809 local terms energy: -266.972023 where: bonds (distance) C4'-P energy: -84.804 bonds (distance) P-C4' energy: -81.348 flat angles C4'-P-C4' energy: -70.021 flat angles P-C4'-P energy: -42.749 tors. eta vs tors. theta energy: 11.950 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: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1476.134328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.134328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.134328 (E_RNA) where: Base-Base interactions energy: -963.774 where: short stacking energy: -443.069 Base-Backbone interact. energy: -4.946 local terms energy: -507.414053 where: bonds (distance) C4'-P energy: -97.185 bonds (distance) P-C4' energy: -104.484 flat angles C4'-P-C4' energy: -93.830 flat angles P-C4'-P energy: -70.833 tors. eta vs tors. theta energy: -141.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1343.944754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.944754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.944754 (E_RNA) where: Base-Base interactions energy: -879.582 where: short stacking energy: -436.460 Base-Backbone interact. energy: -1.061 local terms energy: -463.302375 where: bonds (distance) C4'-P energy: -94.212 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -95.182 flat angles P-C4'-P energy: -69.174 tors. eta vs tors. theta energy: -123.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1233.377141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.377141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.377141 (E_RNA) where: Base-Base interactions energy: -800.983 where: short stacking energy: -370.785 Base-Backbone interact. energy: -1.093 local terms energy: -431.300671 where: bonds (distance) C4'-P energy: -97.137 bonds (distance) P-C4' energy: -79.042 flat angles C4'-P-C4' energy: -97.772 flat angles P-C4'-P energy: -62.617 tors. eta vs tors. theta energy: -94.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1113.503535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.503535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.503535 (E_RNA) where: Base-Base interactions energy: -672.523 where: short stacking energy: -321.151 Base-Backbone interact. energy: -2.845 local terms energy: -438.135829 where: bonds (distance) C4'-P energy: -77.379 bonds (distance) P-C4' energy: -96.517 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -77.706 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: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1050.709734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.709734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.709734 (E_RNA) where: Base-Base interactions energy: -671.700 where: short stacking energy: -326.817 Base-Backbone interact. energy: -1.180 local terms energy: -377.829820 where: bonds (distance) C4'-P energy: -66.415 bonds (distance) P-C4' energy: -87.819 flat angles C4'-P-C4' energy: -90.287 flat angles P-C4'-P energy: -58.368 tors. eta vs tors. theta energy: -74.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1011.148676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.148676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.148676 (E_RNA) where: Base-Base interactions energy: -636.949 where: short stacking energy: -300.210 Base-Backbone interact. energy: -1.003 local terms energy: -373.196558 where: bonds (distance) C4'-P energy: -84.614 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -86.664 flat angles P-C4'-P energy: -36.067 tors. eta vs tors. theta energy: -72.930 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -747.512322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.512322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.512322 (E_RNA) where: Base-Base interactions energy: -433.753 where: short stacking energy: -236.483 Base-Backbone interact. energy: -0.048 local terms energy: -313.710834 where: bonds (distance) C4'-P energy: -81.677 bonds (distance) P-C4' energy: -83.500 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -35.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -577.646734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.646734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.646734 (E_RNA) where: Base-Base interactions energy: -265.347 where: short stacking energy: -168.318 Base-Backbone interact. energy: 4.932 local terms energy: -317.231816 where: bonds (distance) C4'-P energy: -75.960 bonds (distance) P-C4' energy: -96.052 flat angles C4'-P-C4' energy: -81.072 flat angles P-C4'-P energy: -44.674 tors. eta vs tors. theta energy: -19.475 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: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -581.556930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.556930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.556930 (E_RNA) where: Base-Base interactions energy: -304.531 where: short stacking energy: -164.773 Base-Backbone interact. energy: 0.273 local terms energy: -277.299204 where: bonds (distance) C4'-P energy: -87.642 bonds (distance) P-C4' energy: -76.652 flat angles C4'-P-C4' energy: -48.366 flat angles P-C4'-P energy: -49.364 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: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -506.737073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.737073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.737073 (E_RNA) where: Base-Base interactions energy: -232.060 where: short stacking energy: -130.911 Base-Backbone interact. energy: 9.699 local terms energy: -284.376036 where: bonds (distance) C4'-P energy: -85.664 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -85.059 flat angles P-C4'-P energy: -31.348 tors. eta vs tors. theta energy: 5.525 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: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1456.891549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.891549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.891549 (E_RNA) where: Base-Base interactions energy: -948.624 where: short stacking energy: -451.615 Base-Backbone interact. energy: -4.880 local terms energy: -503.387644 where: bonds (distance) C4'-P energy: -98.921 bonds (distance) P-C4' energy: -90.522 flat angles C4'-P-C4' energy: -112.757 flat angles P-C4'-P energy: -67.576 tors. eta vs tors. theta energy: -133.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1375.583172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.583172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.583172 (E_RNA) where: Base-Base interactions energy: -882.394 where: short stacking energy: -421.056 Base-Backbone interact. energy: 0.021 local terms energy: -493.210775 where: bonds (distance) C4'-P energy: -86.505 bonds (distance) P-C4' energy: -98.120 flat angles C4'-P-C4' energy: -111.125 flat angles P-C4'-P energy: -70.387 tors. eta vs tors. theta energy: -127.074 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: 1 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1288.088238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.088238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.088238 (E_RNA) where: Base-Base interactions energy: -845.435 where: short stacking energy: -368.385 Base-Backbone interact. energy: 3.132 local terms energy: -445.784522 where: bonds (distance) C4'-P energy: -89.534 bonds (distance) P-C4' energy: -95.523 flat angles C4'-P-C4' energy: -105.602 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -99.121 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: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1107.315597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.315597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.315597 (E_RNA) where: Base-Base interactions energy: -692.827 where: short stacking energy: -333.350 Base-Backbone interact. energy: -0.544 local terms energy: -413.944292 where: bonds (distance) C4'-P energy: -72.115 bonds (distance) P-C4' energy: -92.900 flat angles C4'-P-C4' energy: -93.822 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -95.409 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: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1079.947275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.947275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.947275 (E_RNA) where: Base-Base interactions energy: -666.599 where: short stacking energy: -324.369 Base-Backbone interact. energy: -0.968 local terms energy: -412.380136 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -100.495 flat angles C4'-P-C4' energy: -86.592 flat angles P-C4'-P energy: -58.026 tors. eta vs tors. theta energy: -90.301 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: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1000.543412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.543412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.543412 (E_RNA) where: Base-Base interactions energy: -644.648 where: short stacking energy: -282.722 Base-Backbone interact. energy: -1.903 local terms energy: -353.992120 where: bonds (distance) C4'-P energy: -80.975 bonds (distance) P-C4' energy: -86.590 flat angles C4'-P-C4' energy: -87.263 flat angles P-C4'-P energy: -41.015 tors. eta vs tors. theta energy: -58.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -781.267380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.267380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.267380 (E_RNA) where: Base-Base interactions energy: -460.777 where: short stacking energy: -225.687 Base-Backbone interact. energy: -2.146 local terms energy: -318.345086 where: bonds (distance) C4'-P energy: -83.319 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -81.871 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -33.125 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: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -642.985383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.985383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.985383 (E_RNA) where: Base-Base interactions energy: -332.556 where: short stacking energy: -178.638 Base-Backbone interact. energy: -0.776 local terms energy: -309.653785 where: bonds (distance) C4'-P energy: -80.120 bonds (distance) P-C4' energy: -80.350 flat angles C4'-P-C4' energy: -74.350 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: -18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -552.012718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.012718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.012718 (E_RNA) where: Base-Base interactions energy: -274.956 where: short stacking energy: -171.655 Base-Backbone interact. energy: 2.795 local terms energy: -279.851246 where: bonds (distance) C4'-P energy: -68.719 bonds (distance) P-C4' energy: -82.146 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -41.887 tors. eta vs tors. theta energy: -10.277 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: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -468.337190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.337190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.337190 (E_RNA) where: Base-Base interactions energy: -199.318 where: short stacking energy: -127.656 Base-Backbone interact. energy: 7.286 local terms energy: -276.304922 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -97.290 flat angles C4'-P-C4' energy: -57.244 flat angles P-C4'-P energy: -33.007 tors. eta vs tors. theta energy: 4.905 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: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1439.660884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.660884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.660884 (E_RNA) where: Base-Base interactions energy: -954.136 where: short stacking energy: -454.017 Base-Backbone interact. energy: -2.339 local terms energy: -483.185262 where: bonds (distance) C4'-P energy: -83.213 bonds (distance) P-C4' energy: -92.716 flat angles C4'-P-C4' energy: -106.606 flat angles P-C4'-P energy: -68.143 tors. eta vs tors. theta energy: -132.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1389.793978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.793978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.793978 (E_RNA) where: Base-Base interactions energy: -899.048 where: short stacking energy: -430.715 Base-Backbone interact. energy: -3.967 local terms energy: -486.778652 where: bonds (distance) C4'-P energy: -94.924 bonds (distance) P-C4' energy: -102.123 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -58.514 tors. eta vs tors. theta energy: -128.649 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: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1259.288253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.288253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.288253 (E_RNA) where: Base-Base interactions energy: -818.751 where: short stacking energy: -364.049 Base-Backbone interact. energy: 1.444 local terms energy: -441.981768 where: bonds (distance) C4'-P energy: -93.425 bonds (distance) P-C4' energy: -98.303 flat angles C4'-P-C4' energy: -83.252 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -94.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1117.725596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.725596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.725596 (E_RNA) where: Base-Base interactions energy: -700.562 where: short stacking energy: -343.096 Base-Backbone interact. energy: 1.009 local terms energy: -418.173183 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -89.230 flat angles C4'-P-C4' energy: -98.546 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -89.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1053.741643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.741643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.741643 (E_RNA) where: Base-Base interactions energy: -652.880 where: short stacking energy: -310.196 Base-Backbone interact. energy: -1.536 local terms energy: -399.325303 where: bonds (distance) C4'-P energy: -85.748 bonds (distance) P-C4' energy: -98.884 flat angles C4'-P-C4' energy: -94.808 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -61.788 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: 110 Temperature: 1.150000 Total energy: -1023.683842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.683842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.683842 (E_RNA) where: Base-Base interactions energy: -636.778 where: short stacking energy: -278.795 Base-Backbone interact. energy: -2.493 local terms energy: -384.413548 where: bonds (distance) C4'-P energy: -82.499 bonds (distance) P-C4' energy: -99.934 flat angles C4'-P-C4' energy: -81.538 flat angles P-C4'-P energy: -55.447 tors. eta vs tors. theta energy: -64.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -750.928629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.928629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.928629 (E_RNA) where: Base-Base interactions energy: -443.645 where: short stacking energy: -221.364 Base-Backbone interact. energy: 1.501 local terms energy: -308.784798 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -94.335 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: -21.829 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: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -695.761859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.761859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.761859 (E_RNA) where: Base-Base interactions energy: -392.512 where: short stacking energy: -199.600 Base-Backbone interact. energy: 4.012 local terms energy: -307.261568 where: bonds (distance) C4'-P energy: -83.621 bonds (distance) P-C4' energy: -76.185 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -41.279 tors. eta vs tors. theta energy: -26.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -539.108030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.108030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.108030 (E_RNA) where: Base-Base interactions energy: -273.643 where: short stacking energy: -149.799 Base-Backbone interact. energy: 0.038 local terms energy: -265.503137 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -43.894 tors. eta vs tors. theta energy: -6.289 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: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -480.784120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.784120 (E_RNA) where: Base-Base interactions energy: -241.546 where: short stacking energy: -123.763 Base-Backbone interact. energy: -0.167 local terms energy: -239.070705 where: bonds (distance) C4'-P energy: -69.899 bonds (distance) P-C4' energy: -76.153 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: 27.336 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: 2 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1449.526920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.526920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.526920 (E_RNA) where: Base-Base interactions energy: -933.417 where: short stacking energy: -441.096 Base-Backbone interact. energy: -4.810 local terms energy: -511.299003 where: bonds (distance) C4'-P energy: -94.046 bonds (distance) P-C4' energy: -103.613 flat angles C4'-P-C4' energy: -110.488 flat angles P-C4'-P energy: -73.584 tors. eta vs tors. theta energy: -129.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1351.199125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.199125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.199125 (E_RNA) where: Base-Base interactions energy: -861.963 where: short stacking energy: -420.650 Base-Backbone interact. energy: 0.952 local terms energy: -490.188460 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -91.778 flat angles C4'-P-C4' energy: -103.132 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -120.752 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: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1282.194242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.194242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.194242 (E_RNA) where: Base-Base interactions energy: -853.749 where: short stacking energy: -395.656 Base-Backbone interact. energy: 0.956 local terms energy: -429.401133 where: bonds (distance) C4'-P energy: -94.661 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -87.890 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -97.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1119.145655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.145655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.145655 (E_RNA) where: Base-Base interactions energy: -706.275 where: short stacking energy: -329.346 Base-Backbone interact. energy: -3.321 local terms energy: -409.549503 where: bonds (distance) C4'-P energy: -91.127 bonds (distance) P-C4' energy: -88.910 flat angles C4'-P-C4' energy: -88.511 flat angles P-C4'-P energy: -58.501 tors. eta vs tors. theta energy: -82.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1060.716911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.716911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.716911 (E_RNA) where: Base-Base interactions energy: -679.149 where: short stacking energy: -313.088 Base-Backbone interact. energy: -0.984 local terms energy: -380.583741 where: bonds (distance) C4'-P energy: -80.104 bonds (distance) P-C4' energy: -83.760 flat angles C4'-P-C4' energy: -97.532 flat angles P-C4'-P energy: -53.448 tors. eta vs tors. theta energy: -65.740 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: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1006.930739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.930739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.930739 (E_RNA) where: Base-Base interactions energy: -660.252 where: short stacking energy: -276.908 Base-Backbone interact. energy: 0.258 local terms energy: -346.936925 where: bonds (distance) C4'-P energy: -58.208 bonds (distance) P-C4' energy: -87.968 flat angles C4'-P-C4' energy: -93.085 flat angles P-C4'-P energy: -54.083 tors. eta vs tors. theta energy: -53.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -758.532177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.532177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.532177 (E_RNA) where: Base-Base interactions energy: -437.496 where: short stacking energy: -209.683 Base-Backbone interact. energy: -1.312 local terms energy: -319.723453 where: bonds (distance) C4'-P energy: -84.679 bonds (distance) P-C4' energy: -81.801 flat angles C4'-P-C4' energy: -82.550 flat angles P-C4'-P energy: -37.293 tors. eta vs tors. theta energy: -33.400 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: 111 Temperature: 1.250000 Total energy: -661.339872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.339872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.339872 (E_RNA) where: Base-Base interactions energy: -384.374 where: short stacking energy: -179.134 Base-Backbone interact. energy: -1.035 local terms energy: -275.930432 where: bonds (distance) C4'-P energy: -76.758 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -69.140 flat angles P-C4'-P energy: -27.804 tors. eta vs tors. theta energy: -26.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -546.975719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.975719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.975719 (E_RNA) where: Base-Base interactions energy: -231.107 where: short stacking energy: -147.277 Base-Backbone interact. energy: -1.630 local terms energy: -314.238457 where: bonds (distance) C4'-P energy: -88.643 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -83.608 flat angles P-C4'-P energy: -43.059 tors. eta vs tors. theta energy: -14.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -480.970401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.970401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.970401 (E_RNA) where: Base-Base interactions energy: -234.629 where: short stacking energy: -143.091 Base-Backbone interact. energy: 0.097 local terms energy: -246.438366 where: bonds (distance) C4'-P energy: -70.072 bonds (distance) P-C4' energy: -85.641 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -31.659 tors. eta vs tors. theta energy: 7.124 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: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1451.949638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.949638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.949638 (E_RNA) where: Base-Base interactions energy: -953.266 where: short stacking energy: -471.436 Base-Backbone interact. energy: -6.207 local terms energy: -492.476598 where: bonds (distance) C4'-P energy: -86.008 bonds (distance) P-C4' energy: -100.752 flat angles C4'-P-C4' energy: -106.327 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -130.221 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: 112 Temperature: 0.950000 Total energy: -1341.803582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.803582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.803582 (E_RNA) where: Base-Base interactions energy: -870.668 where: short stacking energy: -412.877 Base-Backbone interact. energy: 2.340 local terms energy: -473.475866 where: bonds (distance) C4'-P energy: -85.751 bonds (distance) P-C4' energy: -99.853 flat angles C4'-P-C4' energy: -109.031 flat angles P-C4'-P energy: -61.685 tors. eta vs tors. theta energy: -117.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1306.516834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.516834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.516834 (E_RNA) where: Base-Base interactions energy: -843.211 where: short stacking energy: -359.528 Base-Backbone interact. energy: 0.646 local terms energy: -463.952610 where: bonds (distance) C4'-P energy: -98.748 bonds (distance) P-C4' energy: -99.000 flat angles C4'-P-C4' energy: -82.411 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -106.976 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: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1129.120343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.120343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.120343 (E_RNA) where: Base-Base interactions energy: -707.625 where: short stacking energy: -358.180 Base-Backbone interact. energy: 0.088 local terms energy: -421.583867 where: bonds (distance) C4'-P energy: -73.173 bonds (distance) P-C4' energy: -92.516 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -62.595 tors. eta vs tors. theta energy: -94.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1093.279490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.279490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.279490 (E_RNA) where: Base-Base interactions energy: -671.358 where: short stacking energy: -324.684 Base-Backbone interact. energy: -1.490 local terms energy: -420.431330 where: bonds (distance) C4'-P energy: -92.206 bonds (distance) P-C4' energy: -86.386 flat angles C4'-P-C4' energy: -90.918 flat angles P-C4'-P energy: -60.913 tors. eta vs tors. theta energy: -90.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -988.391913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.391913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.391913 (E_RNA) where: Base-Base interactions energy: -651.416 where: short stacking energy: -306.714 Base-Backbone interact. energy: -0.325 local terms energy: -336.650489 where: bonds (distance) C4'-P energy: -72.444 bonds (distance) P-C4' energy: -72.364 flat angles C4'-P-C4' energy: -86.940 flat angles P-C4'-P energy: -49.966 tors. eta vs tors. theta energy: -54.936 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: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -718.920422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.920422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.920422 (E_RNA) where: Base-Base interactions energy: -399.605 where: short stacking energy: -212.559 Base-Backbone interact. energy: 5.101 local terms energy: -324.416607 where: bonds (distance) C4'-P energy: -74.332 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -78.684 flat angles P-C4'-P energy: -43.268 tors. eta vs tors. theta energy: -36.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -647.839483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.839483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.839483 (E_RNA) where: Base-Base interactions energy: -341.386 where: short stacking energy: -178.867 Base-Backbone interact. energy: 1.584 local terms energy: -308.037407 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -87.820 flat angles C4'-P-C4' energy: -73.776 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -14.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -518.174701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.174701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.174701 (E_RNA) where: Base-Base interactions energy: -229.210 where: short stacking energy: -145.768 Base-Backbone interact. energy: 6.217 local terms energy: -295.181636 where: bonds (distance) C4'-P energy: -68.142 bonds (distance) P-C4' energy: -85.162 flat angles C4'-P-C4' energy: -72.923 flat angles P-C4'-P energy: -58.191 tors. eta vs tors. theta energy: -10.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -516.331324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.331324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.331324 (E_RNA) where: Base-Base interactions energy: -260.670 where: short stacking energy: -157.327 Base-Backbone interact. energy: -1.186 local terms energy: -254.475408 where: bonds (distance) C4'-P energy: -43.966 bonds (distance) P-C4' energy: -78.460 flat angles C4'-P-C4' energy: -72.386 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -19.794 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: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1459.981530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.981530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.981530 (E_RNA) where: Base-Base interactions energy: -954.470 where: short stacking energy: -458.094 Base-Backbone interact. energy: -1.961 local terms energy: -503.551218 where: bonds (distance) C4'-P energy: -79.439 bonds (distance) P-C4' energy: -110.885 flat angles C4'-P-C4' energy: -116.372 flat angles P-C4'-P energy: -68.552 tors. eta vs tors. theta energy: -128.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1327.776954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.776954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.776954 (E_RNA) where: Base-Base interactions energy: -862.935 where: short stacking energy: -387.727 Base-Backbone interact. energy: -1.033 local terms energy: -463.808814 where: bonds (distance) C4'-P energy: -93.913 bonds (distance) P-C4' energy: -98.121 flat angles C4'-P-C4' energy: -100.516 flat angles P-C4'-P energy: -71.228 tors. eta vs tors. theta energy: -100.031 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: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1340.357874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.357874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.357874 (E_RNA) where: Base-Base interactions energy: -865.447 where: short stacking energy: -408.479 Base-Backbone interact. energy: -2.618 local terms energy: -472.293259 where: bonds (distance) C4'-P energy: -95.670 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -93.971 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -112.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1113.628225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.628225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.628225 (E_RNA) where: Base-Base interactions energy: -685.024 where: short stacking energy: -341.280 Base-Backbone interact. energy: -3.128 local terms energy: -425.475667 where: bonds (distance) C4'-P energy: -94.604 bonds (distance) P-C4' energy: -86.885 flat angles C4'-P-C4' energy: -93.703 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -91.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1090.533263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.533263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.533263 (E_RNA) where: Base-Base interactions energy: -673.989 where: short stacking energy: -321.710 Base-Backbone interact. energy: -2.226 local terms energy: -414.318335 where: bonds (distance) C4'-P energy: -89.286 bonds (distance) P-C4' energy: -95.848 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -59.848 tors. eta vs tors. theta energy: -78.416 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: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1035.877755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.877755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.877755 (E_RNA) where: Base-Base interactions energy: -639.794 where: short stacking energy: -306.583 Base-Backbone interact. energy: -0.568 local terms energy: -395.515910 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -92.933 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -47.731 tors. eta vs tors. theta energy: -73.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -760.249512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.249512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.249512 (E_RNA) where: Base-Base interactions energy: -417.973 where: short stacking energy: -225.918 Base-Backbone interact. energy: -1.166 local terms energy: -341.110846 where: bonds (distance) C4'-P energy: -79.719 bonds (distance) P-C4' energy: -82.905 flat angles C4'-P-C4' energy: -81.052 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: -40.633 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: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -671.896955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.896955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.896955 (E_RNA) where: Base-Base interactions energy: -383.752 where: short stacking energy: -195.085 Base-Backbone interact. energy: 1.848 local terms energy: -289.993526 where: bonds (distance) C4'-P energy: -81.783 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -71.846 flat angles P-C4'-P energy: -33.553 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: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -535.795211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.795211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.795211 (E_RNA) where: Base-Base interactions energy: -261.469 where: short stacking energy: -165.045 Base-Backbone interact. energy: 0.730 local terms energy: -275.055600 where: bonds (distance) C4'-P energy: -73.251 bonds (distance) P-C4' energy: -93.731 flat angles C4'-P-C4' energy: -69.970 flat angles P-C4'-P energy: -38.964 tors. eta vs tors. theta energy: 0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -469.234565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.234565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.234565 (E_RNA) where: Base-Base interactions energy: -195.389 where: short stacking energy: -122.458 Base-Backbone interact. energy: 0.824 local terms energy: -274.670069 where: bonds (distance) C4'-P energy: -82.142 bonds (distance) P-C4' energy: -94.992 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -38.689 tors. eta vs tors. theta energy: 9.624 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: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1448.961146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.961146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.961146 (E_RNA) where: Base-Base interactions energy: -958.520 where: short stacking energy: -462.661 Base-Backbone interact. energy: -0.271 local terms energy: -490.169747 where: bonds (distance) C4'-P energy: -97.554 bonds (distance) P-C4' energy: -100.750 flat angles C4'-P-C4' energy: -99.839 flat angles P-C4'-P energy: -67.195 tors. eta vs tors. theta energy: -124.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1329.989376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.989376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.989376 (E_RNA) where: Base-Base interactions energy: -872.219 where: short stacking energy: -402.569 Base-Backbone interact. energy: 2.361 local terms energy: -460.131122 where: bonds (distance) C4'-P energy: -89.536 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -103.058 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -105.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1286.299499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.299499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.299499 (E_RNA) where: Base-Base interactions energy: -832.016 where: short stacking energy: -408.430 Base-Backbone interact. energy: -2.017 local terms energy: -452.266113 where: bonds (distance) C4'-P energy: -93.257 bonds (distance) P-C4' energy: -88.779 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -63.374 tors. eta vs tors. theta energy: -116.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1205.875877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.875877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.875877 (E_RNA) where: Base-Base interactions energy: -730.727 where: short stacking energy: -367.338 Base-Backbone interact. energy: -1.914 local terms energy: -473.235723 where: bonds (distance) C4'-P energy: -104.023 bonds (distance) P-C4' energy: -92.637 flat angles C4'-P-C4' energy: -104.451 flat angles P-C4'-P energy: -74.083 tors. eta vs tors. theta energy: -98.042 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: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1110.268015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.268015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.268015 (E_RNA) where: Base-Base interactions energy: -696.664 where: short stacking energy: -345.562 Base-Backbone interact. energy: -0.818 local terms energy: -412.785429 where: bonds (distance) C4'-P energy: -91.106 bonds (distance) P-C4' energy: -84.975 flat angles C4'-P-C4' energy: -92.674 flat angles P-C4'-P energy: -59.189 tors. eta vs tors. theta energy: -84.841 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: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -975.887028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.887028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.887028 (E_RNA) where: Base-Base interactions energy: -610.596 where: short stacking energy: -267.594 Base-Backbone interact. energy: -1.185 local terms energy: -364.106019 where: bonds (distance) C4'-P energy: -76.748 bonds (distance) P-C4' energy: -91.318 flat angles C4'-P-C4' energy: -86.015 flat angles P-C4'-P energy: -50.310 tors. eta vs tors. theta energy: -59.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -791.816566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.816566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.816566 (E_RNA) where: Base-Base interactions energy: -448.313 where: short stacking energy: -237.804 Base-Backbone interact. energy: -0.398 local terms energy: -343.105526 where: bonds (distance) C4'-P energy: -80.077 bonds (distance) P-C4' energy: -79.933 flat angles C4'-P-C4' energy: -83.771 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -43.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -730.655989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.655989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.655989 (E_RNA) where: Base-Base interactions energy: -420.440 where: short stacking energy: -216.628 Base-Backbone interact. energy: -1.599 local terms energy: -308.617275 where: bonds (distance) C4'-P energy: -72.253 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -61.374 flat angles P-C4'-P energy: -49.667 tors. eta vs tors. theta energy: -33.799 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: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -560.710886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.710886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.710886 (E_RNA) where: Base-Base interactions energy: -269.990 where: short stacking energy: -162.989 Base-Backbone interact. energy: -3.927 local terms energy: -286.793852 where: bonds (distance) C4'-P energy: -76.761 bonds (distance) P-C4' energy: -82.819 flat angles C4'-P-C4' energy: -64.245 flat angles P-C4'-P energy: -48.792 tors. eta vs tors. theta energy: -14.176 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: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -476.328011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.328011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.328011 (E_RNA) where: Base-Base interactions energy: -214.728 where: short stacking energy: -106.434 Base-Backbone interact. energy: 0.903 local terms energy: -262.503259 where: bonds (distance) C4'-P energy: -85.511 bonds (distance) P-C4' energy: -81.207 flat angles C4'-P-C4' energy: -56.013 flat angles P-C4'-P energy: -52.322 tors. eta vs tors. theta energy: 12.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1473.217607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.217607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.217607 (E_RNA) where: Base-Base interactions energy: -977.504 where: short stacking energy: -463.869 Base-Backbone interact. energy: -2.542 local terms energy: -493.171971 where: bonds (distance) C4'-P energy: -91.388 bonds (distance) P-C4' energy: -90.553 flat angles C4'-P-C4' energy: -104.891 flat angles P-C4'-P energy: -73.000 tors. eta vs tors. theta energy: -133.340 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: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1367.920953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.920953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.920953 (E_RNA) where: Base-Base interactions energy: -894.190 where: short stacking energy: -423.828 Base-Backbone interact. energy: -4.942 local terms energy: -468.789296 where: bonds (distance) C4'-P energy: -83.293 bonds (distance) P-C4' energy: -80.953 flat angles C4'-P-C4' energy: -103.032 flat angles P-C4'-P energy: -70.809 tors. eta vs tors. theta energy: -130.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1274.637029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.637029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.637029 (E_RNA) where: Base-Base interactions energy: -788.608 where: short stacking energy: -383.833 Base-Backbone interact. energy: 1.232 local terms energy: -487.260860 where: bonds (distance) C4'-P energy: -94.345 bonds (distance) P-C4' energy: -101.082 flat angles C4'-P-C4' energy: -97.884 flat angles P-C4'-P energy: -75.388 tors. eta vs tors. theta energy: -118.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1159.279705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.279705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.279705 (E_RNA) where: Base-Base interactions energy: -731.128 where: short stacking energy: -381.749 Base-Backbone interact. energy: -1.000 local terms energy: -427.152200 where: bonds (distance) C4'-P energy: -85.309 bonds (distance) P-C4' energy: -80.506 flat angles C4'-P-C4' energy: -103.912 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -98.388 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: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1019.577182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.577182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.577182 (E_RNA) where: Base-Base interactions energy: -634.865 where: short stacking energy: -292.674 Base-Backbone interact. energy: -1.257 local terms energy: -383.455575 where: bonds (distance) C4'-P energy: -73.040 bonds (distance) P-C4' energy: -92.327 flat angles C4'-P-C4' energy: -92.957 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: -68.942 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: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -980.565994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.565994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.565994 (E_RNA) where: Base-Base interactions energy: -626.315 where: short stacking energy: -267.678 Base-Backbone interact. energy: -1.698 local terms energy: -352.552395 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -78.952 flat angles C4'-P-C4' energy: -87.242 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -42.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -811.644944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.644944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.644944 (E_RNA) where: Base-Base interactions energy: -463.438 where: short stacking energy: -252.781 Base-Backbone interact. energy: -2.221 local terms energy: -345.985849 where: bonds (distance) C4'-P energy: -90.087 bonds (distance) P-C4' energy: -78.500 flat angles C4'-P-C4' energy: -84.495 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -45.709 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: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -781.118292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.118292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.118292 (E_RNA) where: Base-Base interactions energy: -446.767 where: short stacking energy: -235.884 Base-Backbone interact. energy: -0.235 local terms energy: -334.116523 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -94.025 flat angles C4'-P-C4' energy: -86.006 flat angles P-C4'-P energy: -28.922 tors. eta vs tors. theta energy: -41.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -557.438837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.438837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.438837 (E_RNA) where: Base-Base interactions energy: -271.403 where: short stacking energy: -166.073 Base-Backbone interact. energy: -1.473 local terms energy: -284.562982 where: bonds (distance) C4'-P energy: -74.300 bonds (distance) P-C4' energy: -78.223 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -62.612 tors. eta vs tors. theta energy: 4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -516.152325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.152325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.152325 (E_RNA) where: Base-Base interactions energy: -230.087 where: short stacking energy: -136.244 Base-Backbone interact. energy: 0.361 local terms energy: -286.426102 where: bonds (distance) C4'-P energy: -83.194 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1440.886814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.886814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.886814 (E_RNA) where: Base-Base interactions energy: -947.307 where: short stacking energy: -467.219 Base-Backbone interact. energy: -4.111 local terms energy: -489.468749 where: bonds (distance) C4'-P energy: -92.031 bonds (distance) P-C4' energy: -93.833 flat angles C4'-P-C4' energy: -106.541 flat angles P-C4'-P energy: -70.090 tors. eta vs tors. theta energy: -126.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1349.189188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.189188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.189188 (E_RNA) where: Base-Base interactions energy: -877.754 where: short stacking energy: -426.275 Base-Backbone interact. energy: -2.435 local terms energy: -469.000316 where: bonds (distance) C4'-P energy: -84.851 bonds (distance) P-C4' energy: -88.298 flat angles C4'-P-C4' energy: -109.156 flat angles P-C4'-P energy: -72.967 tors. eta vs tors. theta energy: -113.727 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: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1262.452433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.452433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.452433 (E_RNA) where: Base-Base interactions energy: -800.632 where: short stacking energy: -397.439 Base-Backbone interact. energy: -3.525 local terms energy: -458.295064 where: bonds (distance) C4'-P energy: -85.485 bonds (distance) P-C4' energy: -94.798 flat angles C4'-P-C4' energy: -101.109 flat angles P-C4'-P energy: -65.662 tors. eta vs tors. theta energy: -111.241 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: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1099.129525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.129525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.129525 (E_RNA) where: Base-Base interactions energy: -670.775 where: short stacking energy: -356.100 Base-Backbone interact. energy: -1.397 local terms energy: -426.957419 where: bonds (distance) C4'-P energy: -75.918 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -99.434 flat angles P-C4'-P energy: -61.543 tors. eta vs tors. theta energy: -91.444 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: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1019.010805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.010805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.010805 (E_RNA) where: Base-Base interactions energy: -620.932 where: short stacking energy: -298.548 Base-Backbone interact. energy: 0.248 local terms energy: -398.326476 where: bonds (distance) C4'-P energy: -84.614 bonds (distance) P-C4' energy: -93.965 flat angles C4'-P-C4' energy: -83.818 flat angles P-C4'-P energy: -61.287 tors. eta vs tors. theta energy: -74.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -989.968204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.968204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.968204 (E_RNA) where: Base-Base interactions energy: -609.131 where: short stacking energy: -274.370 Base-Backbone interact. energy: -1.807 local terms energy: -379.029662 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -91.471 flat angles C4'-P-C4' energy: -84.687 flat angles P-C4'-P energy: -59.952 tors. eta vs tors. theta energy: -65.158 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: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -838.050054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.050054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.050054 (E_RNA) where: Base-Base interactions energy: -495.840 where: short stacking energy: -273.277 Base-Backbone interact. energy: -2.401 local terms energy: -339.809150 where: bonds (distance) C4'-P energy: -72.018 bonds (distance) P-C4' energy: -73.215 flat angles C4'-P-C4' energy: -86.645 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: -46.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -752.279831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.279831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.279831 (E_RNA) where: Base-Base interactions energy: -396.268 where: short stacking energy: -205.868 Base-Backbone interact. energy: -3.488 local terms energy: -352.524364 where: bonds (distance) C4'-P energy: -80.649 bonds (distance) P-C4' energy: -86.838 flat angles C4'-P-C4' energy: -88.149 flat angles P-C4'-P energy: -61.806 tors. eta vs tors. theta energy: -35.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -491.914147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.914147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.914147 (E_RNA) where: Base-Base interactions energy: -226.602 where: short stacking energy: -160.916 Base-Backbone interact. energy: 0.485 local terms energy: -265.796283 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -76.097 flat angles P-C4'-P energy: -35.234 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -505.159598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.159598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.159598 (E_RNA) where: Base-Base interactions energy: -244.119 where: short stacking energy: -152.677 Base-Backbone interact. energy: -2.005 local terms energy: -259.034884 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -34.523 tors. eta vs tors. theta energy: 9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1488.743775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.743775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.743775 (E_RNA) where: Base-Base interactions energy: -987.371 where: short stacking energy: -472.197 Base-Backbone interact. energy: 1.060 local terms energy: -502.433189 where: bonds (distance) C4'-P energy: -97.577 bonds (distance) P-C4' energy: -85.636 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -87.345 tors. eta vs tors. theta energy: -129.223 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: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1337.432255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.432255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.432255 (E_RNA) where: Base-Base interactions energy: -883.262 where: short stacking energy: -404.924 Base-Backbone interact. energy: -0.754 local terms energy: -453.416043 where: bonds (distance) C4'-P energy: -78.832 bonds (distance) P-C4' energy: -94.989 flat angles C4'-P-C4' energy: -104.854 flat angles P-C4'-P energy: -60.559 tors. eta vs tors. theta energy: -114.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1279.644541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.644541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.644541 (E_RNA) where: Base-Base interactions energy: -824.978 where: short stacking energy: -399.000 Base-Backbone interact. energy: 3.391 local terms energy: -458.058182 where: bonds (distance) C4'-P energy: -80.367 bonds (distance) P-C4' energy: -80.066 flat angles C4'-P-C4' energy: -102.702 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -116.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1087.198083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.198083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.198083 (E_RNA) where: Base-Base interactions energy: -652.354 where: short stacking energy: -326.266 Base-Backbone interact. energy: -0.875 local terms energy: -433.969522 where: bonds (distance) C4'-P energy: -92.619 bonds (distance) P-C4' energy: -103.752 flat angles C4'-P-C4' energy: -87.722 flat angles P-C4'-P energy: -74.232 tors. eta vs tors. theta energy: -75.645 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: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1063.215362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.215362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.215362 (E_RNA) where: Base-Base interactions energy: -644.913 where: short stacking energy: -313.503 Base-Backbone interact. energy: -2.177 local terms energy: -416.125717 where: bonds (distance) C4'-P energy: -87.137 bonds (distance) P-C4' energy: -99.880 flat angles C4'-P-C4' energy: -97.934 flat angles P-C4'-P energy: -57.332 tors. eta vs tors. theta energy: -73.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -951.501267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.501267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.501267 (E_RNA) where: Base-Base interactions energy: -605.987 where: short stacking energy: -264.532 Base-Backbone interact. energy: -3.052 local terms energy: -342.461633 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -89.745 flat angles C4'-P-C4' energy: -82.956 flat angles P-C4'-P energy: -49.336 tors. eta vs tors. theta energy: -45.626 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: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -824.454800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.454800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.454800 (E_RNA) where: Base-Base interactions energy: -465.405 where: short stacking energy: -246.265 Base-Backbone interact. energy: -1.875 local terms energy: -357.175523 where: bonds (distance) C4'-P energy: -97.078 bonds (distance) P-C4' energy: -79.567 flat angles C4'-P-C4' energy: -81.120 flat angles P-C4'-P energy: -50.752 tors. eta vs tors. theta energy: -48.660 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: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -649.118059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.118059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.118059 (E_RNA) where: Base-Base interactions energy: -360.257 where: short stacking energy: -179.387 Base-Backbone interact. energy: 0.972 local terms energy: -289.833133 where: bonds (distance) C4'-P energy: -85.350 bonds (distance) P-C4' energy: -80.423 flat angles C4'-P-C4' energy: -60.188 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -22.495 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: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -508.423689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.423689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.423689 (E_RNA) where: Base-Base interactions energy: -230.876 where: short stacking energy: -152.419 Base-Backbone interact. energy: -2.069 local terms energy: -275.478957 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -74.894 flat angles C4'-P-C4' energy: -83.612 flat angles P-C4'-P energy: -35.120 tors. eta vs tors. theta energy: -9.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -474.717231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.717231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.717231 (E_RNA) where: Base-Base interactions energy: -195.242 where: short stacking energy: -127.989 Base-Backbone interact. energy: -0.169 local terms energy: -279.305567 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -86.056 flat angles C4'-P-C4' energy: -73.658 flat angles P-C4'-P energy: -43.574 tors. eta vs tors. theta energy: 3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1453.223239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.223239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.223239 (E_RNA) where: Base-Base interactions energy: -964.989 where: short stacking energy: -441.217 Base-Backbone interact. energy: -3.589 local terms energy: -484.645469 where: bonds (distance) C4'-P energy: -89.561 bonds (distance) P-C4' energy: -98.230 flat angles C4'-P-C4' energy: -103.669 flat angles P-C4'-P energy: -66.288 tors. eta vs tors. theta energy: -126.897 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: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1366.885809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.885809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.885809 (E_RNA) where: Base-Base interactions energy: -909.572 where: short stacking energy: -411.317 Base-Backbone interact. energy: 1.772 local terms energy: -459.086155 where: bonds (distance) C4'-P energy: -84.552 bonds (distance) P-C4' energy: -96.039 flat angles C4'-P-C4' energy: -90.856 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: -109.176 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: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1267.503732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.503732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.503732 (E_RNA) where: Base-Base interactions energy: -817.780 where: short stacking energy: -399.357 Base-Backbone interact. energy: 1.537 local terms energy: -451.261232 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -84.853 flat angles C4'-P-C4' energy: -97.593 flat angles P-C4'-P energy: -66.125 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: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1073.269121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.269121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.269121 (E_RNA) where: Base-Base interactions energy: -678.223 where: short stacking energy: -316.924 Base-Backbone interact. energy: 1.436 local terms energy: -396.481385 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -94.557 flat angles C4'-P-C4' energy: -100.177 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -63.039 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: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1046.751386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.751386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.751386 (E_RNA) where: Base-Base interactions energy: -657.803 where: short stacking energy: -306.838 Base-Backbone interact. energy: 0.497 local terms energy: -389.444716 where: bonds (distance) C4'-P energy: -85.980 bonds (distance) P-C4' energy: -80.555 flat angles C4'-P-C4' energy: -85.108 flat angles P-C4'-P energy: -56.992 tors. eta vs tors. theta energy: -80.811 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: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -928.831012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.831012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.831012 (E_RNA) where: Base-Base interactions energy: -588.208 where: short stacking energy: -278.684 Base-Backbone interact. energy: -1.332 local terms energy: -339.291392 where: bonds (distance) C4'-P energy: -81.683 bonds (distance) P-C4' energy: -90.944 flat angles C4'-P-C4' energy: -72.780 flat angles P-C4'-P energy: -53.653 tors. eta vs tors. theta energy: -40.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -828.628227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.628227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.628227 (E_RNA) where: Base-Base interactions energy: -479.679 where: short stacking energy: -234.239 Base-Backbone interact. energy: 2.495 local terms energy: -351.444236 where: bonds (distance) C4'-P energy: -90.121 bonds (distance) P-C4' energy: -76.423 flat angles C4'-P-C4' energy: -101.474 flat angles P-C4'-P energy: -31.088 tors. eta vs tors. theta energy: -52.338 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: 118 Temperature: 1.250000 Total energy: -621.340048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.340048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.340048 (E_RNA) where: Base-Base interactions energy: -318.827 where: short stacking energy: -194.152 Base-Backbone interact. energy: 0.914 local terms energy: -303.427180 where: bonds (distance) C4'-P energy: -84.487 bonds (distance) P-C4' energy: -85.754 flat angles C4'-P-C4' energy: -69.856 flat angles P-C4'-P energy: -35.020 tors. eta vs tors. theta energy: -28.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -513.176771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.176771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.176771 (E_RNA) where: Base-Base interactions energy: -255.135 where: short stacking energy: -171.511 Base-Backbone interact. energy: 3.163 local terms energy: -261.204993 where: bonds (distance) C4'-P energy: -77.035 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -59.910 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -1.731 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: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -470.968072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.968072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.968072 (E_RNA) where: Base-Base interactions energy: -211.344 where: short stacking energy: -145.652 Base-Backbone interact. energy: -0.547 local terms energy: -259.076943 where: bonds (distance) C4'-P energy: -81.172 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -62.164 flat angles P-C4'-P energy: -38.745 tors. eta vs tors. theta energy: -0.185 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: 2 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1452.600267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.600267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.600267 (E_RNA) where: Base-Base interactions energy: -954.639 where: short stacking energy: -449.228 Base-Backbone interact. energy: 0.485 local terms energy: -498.446142 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -108.481 flat angles P-C4'-P energy: -75.003 tors. eta vs tors. theta energy: -125.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1346.837920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.837920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.837920 (E_RNA) where: Base-Base interactions energy: -876.927 where: short stacking energy: -395.143 Base-Backbone interact. energy: -3.298 local terms energy: -466.612830 where: bonds (distance) C4'-P energy: -95.893 bonds (distance) P-C4' energy: -90.965 flat angles C4'-P-C4' energy: -109.773 flat angles P-C4'-P energy: -60.977 tors. eta vs tors. theta energy: -109.005 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: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1264.698693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.698693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.698693 (E_RNA) where: Base-Base interactions energy: -820.905 where: short stacking energy: -389.209 Base-Backbone interact. energy: -3.897 local terms energy: -439.897481 where: bonds (distance) C4'-P energy: -89.387 bonds (distance) P-C4' energy: -84.003 flat angles C4'-P-C4' energy: -106.355 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -109.192 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: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1138.962166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.962166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.962166 (E_RNA) where: Base-Base interactions energy: -714.890 where: short stacking energy: -369.439 Base-Backbone interact. energy: -0.859 local terms energy: -423.212668 where: bonds (distance) C4'-P energy: -82.336 bonds (distance) P-C4' energy: -82.674 flat angles C4'-P-C4' energy: -97.429 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -97.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1055.978052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.978052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.978052 (E_RNA) where: Base-Base interactions energy: -653.228 where: short stacking energy: -319.321 Base-Backbone interact. energy: -2.690 local terms energy: -400.060120 where: bonds (distance) C4'-P energy: -81.991 bonds (distance) P-C4' energy: -89.303 flat angles C4'-P-C4' energy: -95.902 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -75.909 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: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -871.506395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.506395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.506395 (E_RNA) where: Base-Base interactions energy: -490.456 where: short stacking energy: -269.091 Base-Backbone interact. energy: -1.499 local terms energy: -379.551350 where: bonds (distance) C4'-P energy: -89.106 bonds (distance) P-C4' energy: -93.777 flat angles C4'-P-C4' energy: -94.641 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -43.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -911.787204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.787204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.787204 (E_RNA) where: Base-Base interactions energy: -549.969 where: short stacking energy: -252.894 Base-Backbone interact. energy: 3.604 local terms energy: -365.422189 where: bonds (distance) C4'-P energy: -75.467 bonds (distance) P-C4' energy: -92.129 flat angles C4'-P-C4' energy: -81.606 flat angles P-C4'-P energy: -45.903 tors. eta vs tors. theta energy: -70.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -632.826724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.826724 (E_RNA) where: Base-Base interactions energy: -329.362 where: short stacking energy: -162.139 Base-Backbone interact. energy: -2.108 local terms energy: -301.356926 where: bonds (distance) C4'-P energy: -85.053 bonds (distance) P-C4' energy: -97.876 flat angles C4'-P-C4' energy: -74.490 flat angles P-C4'-P energy: -35.388 tors. eta vs tors. theta energy: -8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -568.440796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.440796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.440796 (E_RNA) where: Base-Base interactions energy: -283.635 where: short stacking energy: -148.758 Base-Backbone interact. energy: 0.399 local terms energy: -285.204951 where: bonds (distance) C4'-P energy: -79.494 bonds (distance) P-C4' energy: -71.847 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -48.012 tors. eta vs tors. theta energy: -6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -486.141226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.141226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.141226 (E_RNA) where: Base-Base interactions energy: -217.512 where: short stacking energy: -134.943 Base-Backbone interact. energy: -0.875 local terms energy: -267.754211 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -73.582 flat angles C4'-P-C4' energy: -75.563 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: 7.299 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: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1476.515631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.515631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.515631 (E_RNA) where: Base-Base interactions energy: -953.994 where: short stacking energy: -459.497 Base-Backbone interact. energy: -4.706 local terms energy: -517.815576 where: bonds (distance) C4'-P energy: -96.096 bonds (distance) P-C4' energy: -104.860 flat angles C4'-P-C4' energy: -111.099 flat angles P-C4'-P energy: -74.858 tors. eta vs tors. theta energy: -130.902 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: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1390.094893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.094893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.094893 (E_RNA) where: Base-Base interactions energy: -911.344 where: short stacking energy: -407.153 Base-Backbone interact. energy: -2.546 local terms energy: -476.205229 where: bonds (distance) C4'-P energy: -90.181 bonds (distance) P-C4' energy: -106.087 flat angles C4'-P-C4' energy: -103.083 flat angles P-C4'-P energy: -61.249 tors. eta vs tors. theta energy: -115.605 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: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1325.548405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.548405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.548405 (E_RNA) where: Base-Base interactions energy: -864.883 where: short stacking energy: -404.379 Base-Backbone interact. energy: -5.066 local terms energy: -455.599279 where: bonds (distance) C4'-P energy: -86.635 bonds (distance) P-C4' energy: -100.524 flat angles C4'-P-C4' energy: -106.043 flat angles P-C4'-P energy: -62.786 tors. eta vs tors. theta energy: -99.612 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: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1147.653513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.653513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.653513 (E_RNA) where: Base-Base interactions energy: -718.656 where: short stacking energy: -361.025 Base-Backbone interact. energy: -1.649 local terms energy: -427.348139 where: bonds (distance) C4'-P energy: -84.201 bonds (distance) P-C4' energy: -90.398 flat angles C4'-P-C4' energy: -100.865 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -99.066 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: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1037.418474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.418474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.418474 (E_RNA) where: Base-Base interactions energy: -673.192 where: short stacking energy: -324.832 Base-Backbone interact. energy: 2.093 local terms energy: -366.319537 where: bonds (distance) C4'-P energy: -89.057 bonds (distance) P-C4' energy: -83.906 flat angles C4'-P-C4' energy: -91.011 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -57.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -908.686489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.686489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.686489 (E_RNA) where: Base-Base interactions energy: -545.157 where: short stacking energy: -278.445 Base-Backbone interact. energy: -0.583 local terms energy: -362.946595 where: bonds (distance) C4'-P energy: -77.933 bonds (distance) P-C4' energy: -86.507 flat angles C4'-P-C4' energy: -83.588 flat angles P-C4'-P energy: -48.858 tors. eta vs tors. theta energy: -66.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -866.907765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.907765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.907765 (E_RNA) where: Base-Base interactions energy: -540.040 where: short stacking energy: -251.379 Base-Backbone interact. energy: 0.909 local terms energy: -327.776229 where: bonds (distance) C4'-P energy: -82.726 bonds (distance) P-C4' energy: -82.488 flat angles C4'-P-C4' energy: -75.252 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -38.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -600.596799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.596799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.596799 (E_RNA) where: Base-Base interactions energy: -324.031 where: short stacking energy: -171.579 Base-Backbone interact. energy: -2.769 local terms energy: -273.797209 where: bonds (distance) C4'-P energy: -52.582 bonds (distance) P-C4' energy: -75.853 flat angles C4'-P-C4' energy: -95.364 flat angles P-C4'-P energy: -54.696 tors. eta vs tors. theta energy: 4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -552.011134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.011134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.011134 (E_RNA) where: Base-Base interactions energy: -269.096 where: short stacking energy: -142.516 Base-Backbone interact. energy: -0.075 local terms energy: -282.840098 where: bonds (distance) C4'-P energy: -60.675 bonds (distance) P-C4' energy: -81.751 flat angles C4'-P-C4' energy: -90.743 flat angles P-C4'-P energy: -46.638 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -461.922438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.922438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.922438 (E_RNA) where: Base-Base interactions energy: -190.938 where: short stacking energy: -136.683 Base-Backbone interact. energy: 0.031 local terms energy: -271.015466 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -77.568 flat angles P-C4'-P energy: -48.925 tors. eta vs tors. theta energy: 6.224 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: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1498.936429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.936429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.936429 (E_RNA) where: Base-Base interactions energy: -984.285 where: short stacking energy: -475.708 Base-Backbone interact. energy: 3.366 local terms energy: -518.017493 where: bonds (distance) C4'-P energy: -102.277 bonds (distance) P-C4' energy: -94.301 flat angles C4'-P-C4' energy: -108.542 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -139.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1421.042022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.042022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.042022 (E_RNA) where: Base-Base interactions energy: -932.378 where: short stacking energy: -433.708 Base-Backbone interact. energy: -0.097 local terms energy: -488.567314 where: bonds (distance) C4'-P energy: -94.123 bonds (distance) P-C4' energy: -98.149 flat angles C4'-P-C4' energy: -105.443 flat angles P-C4'-P energy: -67.059 tors. eta vs tors. theta energy: -123.793 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: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1300.699027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.699027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.699027 (E_RNA) where: Base-Base interactions energy: -869.857 where: short stacking energy: -375.053 Base-Backbone interact. energy: -6.937 local terms energy: -423.905497 where: bonds (distance) C4'-P energy: -78.850 bonds (distance) P-C4' energy: -84.946 flat angles C4'-P-C4' energy: -90.297 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: -111.114 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: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1142.746030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.746030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.746030 (E_RNA) where: Base-Base interactions energy: -725.057 where: short stacking energy: -375.854 Base-Backbone interact. energy: 0.222 local terms energy: -417.910698 where: bonds (distance) C4'-P energy: -74.281 bonds (distance) P-C4' energy: -75.983 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -69.901 tors. eta vs tors. theta energy: -104.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1062.453751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.453751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.453751 (E_RNA) where: Base-Base interactions energy: -676.295 where: short stacking energy: -318.745 Base-Backbone interact. energy: -3.054 local terms energy: -383.104720 where: bonds (distance) C4'-P energy: -82.741 bonds (distance) P-C4' energy: -94.815 flat angles C4'-P-C4' energy: -81.716 flat angles P-C4'-P energy: -48.486 tors. eta vs tors. theta energy: -75.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -833.657606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.657606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.657606 (E_RNA) where: Base-Base interactions energy: -488.817 where: short stacking energy: -250.199 Base-Backbone interact. energy: 0.620 local terms energy: -345.460937 where: bonds (distance) C4'-P energy: -83.526 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -87.394 flat angles P-C4'-P energy: -55.676 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: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -875.450968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.450968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.450968 (E_RNA) where: Base-Base interactions energy: -512.971 where: short stacking energy: -242.294 Base-Backbone interact. energy: -0.354 local terms energy: -362.126032 where: bonds (distance) C4'-P energy: -91.673 bonds (distance) P-C4' energy: -93.740 flat angles C4'-P-C4' energy: -87.290 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -42.671 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: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -661.014172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.014172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.014172 (E_RNA) where: Base-Base interactions energy: -343.966 where: short stacking energy: -187.523 Base-Backbone interact. energy: -0.404 local terms energy: -316.644495 where: bonds (distance) C4'-P energy: -92.740 bonds (distance) P-C4' energy: -79.082 flat angles C4'-P-C4' energy: -66.630 flat angles P-C4'-P energy: -56.368 tors. eta vs tors. theta energy: -21.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -523.515984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.515984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.515984 (E_RNA) where: Base-Base interactions energy: -260.829 where: short stacking energy: -143.156 Base-Backbone interact. energy: -2.209 local terms energy: -260.478410 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -84.437 flat angles C4'-P-C4' energy: -39.169 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -0.925 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: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -438.056787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.056787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.056787 (E_RNA) where: Base-Base interactions energy: -191.412 where: short stacking energy: -127.119 Base-Backbone interact. energy: 3.487 local terms energy: -250.131787 where: bonds (distance) C4'-P energy: -78.703 bonds (distance) P-C4' energy: -75.071 flat angles C4'-P-C4' energy: -64.964 flat angles P-C4'-P energy: -43.965 tors. eta vs tors. theta energy: 12.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1476.712131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.712131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.712131 (E_RNA) where: Base-Base interactions energy: -979.853 where: short stacking energy: -469.798 Base-Backbone interact. energy: -1.084 local terms energy: -495.775447 where: bonds (distance) C4'-P energy: -92.877 bonds (distance) P-C4' energy: -97.740 flat angles C4'-P-C4' energy: -105.248 flat angles P-C4'-P energy: -64.031 tors. eta vs tors. theta energy: -135.880 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: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1425.724781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.724781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.724781 (E_RNA) where: Base-Base interactions energy: -947.693 where: short stacking energy: -414.126 Base-Backbone interact. energy: -1.951 local terms energy: -476.080793 where: bonds (distance) C4'-P energy: -99.403 bonds (distance) P-C4' energy: -104.307 flat angles C4'-P-C4' energy: -99.411 flat angles P-C4'-P energy: -60.249 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: 3, replica: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1276.914304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.914304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.914304 (E_RNA) where: Base-Base interactions energy: -833.768 where: short stacking energy: -381.111 Base-Backbone interact. energy: -2.527 local terms energy: -440.620017 where: bonds (distance) C4'-P energy: -85.763 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -58.023 tors. eta vs tors. theta energy: -113.009 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: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1140.589539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.589539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.589539 (E_RNA) where: Base-Base interactions energy: -712.522 where: short stacking energy: -375.637 Base-Backbone interact. energy: -2.803 local terms energy: -425.263845 where: bonds (distance) C4'-P energy: -81.739 bonds (distance) P-C4' energy: -90.947 flat angles C4'-P-C4' energy: -93.543 flat angles P-C4'-P energy: -65.985 tors. eta vs tors. theta energy: -93.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1079.319708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.319708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.319708 (E_RNA) where: Base-Base interactions energy: -668.972 where: short stacking energy: -333.327 Base-Backbone interact. energy: -0.937 local terms energy: -409.410441 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -77.229 flat angles C4'-P-C4' energy: -99.834 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: -87.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -824.689485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.689485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.689485 (E_RNA) where: Base-Base interactions energy: -481.631 where: short stacking energy: -244.234 Base-Backbone interact. energy: 0.292 local terms energy: -343.350825 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -82.122 flat angles P-C4'-P energy: -42.275 tors. eta vs tors. theta energy: -46.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -886.643147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.643147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.643147 (E_RNA) where: Base-Base interactions energy: -508.973 where: short stacking energy: -263.910 Base-Backbone interact. energy: 0.153 local terms energy: -377.823033 where: bonds (distance) C4'-P energy: -81.583 bonds (distance) P-C4' energy: -97.318 flat angles C4'-P-C4' energy: -85.069 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -65.951 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: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -683.803869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.803869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.803869 (E_RNA) where: Base-Base interactions energy: -387.984 where: short stacking energy: -178.507 Base-Backbone interact. energy: 0.473 local terms energy: -296.293313 where: bonds (distance) C4'-P energy: -90.228 bonds (distance) P-C4' energy: -77.275 flat angles C4'-P-C4' energy: -67.493 flat angles P-C4'-P energy: -41.839 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: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -526.877752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.877752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.877752 (E_RNA) where: Base-Base interactions energy: -242.403 where: short stacking energy: -134.861 Base-Backbone interact. energy: -1.981 local terms energy: -282.494481 where: bonds (distance) C4'-P energy: -80.491 bonds (distance) P-C4' energy: -93.376 flat angles C4'-P-C4' energy: -67.387 flat angles P-C4'-P energy: -49.052 tors. eta vs tors. theta energy: 7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -465.822652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.822652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.822652 (E_RNA) where: Base-Base interactions energy: -201.846 where: short stacking energy: -130.836 Base-Backbone interact. energy: 2.595 local terms energy: -266.572002 where: bonds (distance) C4'-P energy: -89.697 bonds (distance) P-C4' energy: -81.843 flat angles C4'-P-C4' energy: -60.742 flat angles P-C4'-P energy: -47.215 tors. eta vs tors. theta energy: 12.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1437.778323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.778323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.778323 (E_RNA) where: Base-Base interactions energy: -952.807 where: short stacking energy: -473.454 Base-Backbone interact. energy: 1.237 local terms energy: -486.208439 where: bonds (distance) C4'-P energy: -79.332 bonds (distance) P-C4' energy: -96.130 flat angles C4'-P-C4' energy: -101.599 flat angles P-C4'-P energy: -77.174 tors. eta vs tors. theta energy: -131.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1410.220357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.220357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.220357 (E_RNA) where: Base-Base interactions energy: -934.462 where: short stacking energy: -418.955 Base-Backbone interact. energy: -2.297 local terms energy: -473.460696 where: bonds (distance) C4'-P energy: -96.879 bonds (distance) P-C4' energy: -80.898 flat angles C4'-P-C4' energy: -100.404 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -122.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1271.489865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.489865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.489865 (E_RNA) where: Base-Base interactions energy: -820.720 where: short stacking energy: -369.284 Base-Backbone interact. energy: -8.413 local terms energy: -442.356556 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -103.990 flat angles P-C4'-P energy: -59.290 tors. eta vs tors. theta energy: -106.325 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: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1107.320537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.320537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.320537 (E_RNA) where: Base-Base interactions energy: -702.336 where: short stacking energy: -348.127 Base-Backbone interact. energy: -0.065 local terms energy: -404.920374 where: bonds (distance) C4'-P energy: -74.929 bonds (distance) P-C4' energy: -80.886 flat angles C4'-P-C4' energy: -88.872 flat angles P-C4'-P energy: -71.684 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: 5, replica: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1135.348795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.348795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.348795 (E_RNA) where: Base-Base interactions energy: -723.829 where: short stacking energy: -336.919 Base-Backbone interact. energy: -2.017 local terms energy: -409.502664 where: bonds (distance) C4'-P energy: -84.950 bonds (distance) P-C4' energy: -91.993 flat angles C4'-P-C4' energy: -94.269 flat angles P-C4'-P energy: -56.319 tors. eta vs tors. theta energy: -81.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -968.984856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.984856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.984856 (E_RNA) where: Base-Base interactions energy: -598.161 where: short stacking energy: -295.524 Base-Backbone interact. energy: -2.175 local terms energy: -368.648666 where: bonds (distance) C4'-P energy: -72.504 bonds (distance) P-C4' energy: -79.052 flat angles C4'-P-C4' energy: -91.305 flat angles P-C4'-P energy: -61.405 tors. eta vs tors. theta energy: -64.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -827.520325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.520325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.520325 (E_RNA) where: Base-Base interactions energy: -486.828 where: short stacking energy: -232.185 Base-Backbone interact. energy: -1.297 local terms energy: -339.395264 where: bonds (distance) C4'-P energy: -80.103 bonds (distance) P-C4' energy: -83.093 flat angles C4'-P-C4' energy: -93.595 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: -34.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -667.345566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.345566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.345566 (E_RNA) where: Base-Base interactions energy: -358.541 where: short stacking energy: -192.198 Base-Backbone interact. energy: 2.576 local terms energy: -311.380456 where: bonds (distance) C4'-P energy: -74.352 bonds (distance) P-C4' energy: -81.696 flat angles C4'-P-C4' energy: -99.338 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: -14.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -534.649414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.649414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.649414 (E_RNA) where: Base-Base interactions energy: -265.164 where: short stacking energy: -152.375 Base-Backbone interact. energy: 3.577 local terms energy: -273.062096 where: bonds (distance) C4'-P energy: -81.801 bonds (distance) P-C4' energy: -88.729 flat angles C4'-P-C4' energy: -67.733 flat angles P-C4'-P energy: -28.875 tors. eta vs tors. theta energy: -5.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -485.563292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.563292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.563292 (E_RNA) where: Base-Base interactions energy: -212.267 where: short stacking energy: -140.365 Base-Backbone interact. energy: 0.876 local terms energy: -274.172069 where: bonds (distance) C4'-P energy: -69.721 bonds (distance) P-C4' energy: -84.296 flat angles C4'-P-C4' energy: -79.756 flat angles P-C4'-P energy: -28.354 tors. eta vs tors. theta energy: -12.045 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: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1438.044081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.044081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.044081 (E_RNA) where: Base-Base interactions energy: -929.635 where: short stacking energy: -422.238 Base-Backbone interact. energy: -3.802 local terms energy: -504.607364 where: bonds (distance) C4'-P energy: -109.691 bonds (distance) P-C4' energy: -107.275 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -120.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1397.027753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.027753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.027753 (E_RNA) where: Base-Base interactions energy: -907.229 where: short stacking energy: -436.473 Base-Backbone interact. energy: -2.533 local terms energy: -487.265278 where: bonds (distance) C4'-P energy: -83.297 bonds (distance) P-C4' energy: -99.703 flat angles C4'-P-C4' energy: -112.203 flat angles P-C4'-P energy: -75.523 tors. eta vs tors. theta energy: -116.539 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: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1271.668371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.668371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.668371 (E_RNA) where: Base-Base interactions energy: -814.982 where: short stacking energy: -385.562 Base-Backbone interact. energy: -2.718 local terms energy: -453.968230 where: bonds (distance) C4'-P energy: -98.907 bonds (distance) P-C4' energy: -90.645 flat angles C4'-P-C4' energy: -97.409 flat angles P-C4'-P energy: -57.899 tors. eta vs tors. theta energy: -109.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1114.440581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.440581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.440581 (E_RNA) where: Base-Base interactions energy: -710.070 where: short stacking energy: -352.759 Base-Backbone interact. energy: -3.100 local terms energy: -401.270603 where: bonds (distance) C4'-P energy: -86.377 bonds (distance) P-C4' energy: -77.185 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -83.910 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: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1131.367185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.367185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.367185 (E_RNA) where: Base-Base interactions energy: -707.948 where: short stacking energy: -330.079 Base-Backbone interact. energy: 3.392 local terms energy: -426.811236 where: bonds (distance) C4'-P energy: -96.324 bonds (distance) P-C4' energy: -95.555 flat angles C4'-P-C4' energy: -80.480 flat angles P-C4'-P energy: -63.142 tors. eta vs tors. theta energy: -91.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -948.716492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.716492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.716492 (E_RNA) where: Base-Base interactions energy: -567.864 where: short stacking energy: -276.565 Base-Backbone interact. energy: -2.174 local terms energy: -378.678304 where: bonds (distance) C4'-P energy: -79.919 bonds (distance) P-C4' energy: -81.189 flat angles C4'-P-C4' energy: -94.505 flat angles P-C4'-P energy: -61.510 tors. eta vs tors. theta energy: -61.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -809.864134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.864134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.864134 (E_RNA) where: Base-Base interactions energy: -478.739 where: short stacking energy: -246.721 Base-Backbone interact. energy: -0.981 local terms energy: -330.144657 where: bonds (distance) C4'-P energy: -71.643 bonds (distance) P-C4' energy: -80.493 flat angles C4'-P-C4' energy: -84.819 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -41.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -642.055845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.055845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.055845 (E_RNA) where: Base-Base interactions energy: -323.292 where: short stacking energy: -185.090 Base-Backbone interact. energy: -1.959 local terms energy: -316.804631 where: bonds (distance) C4'-P energy: -87.772 bonds (distance) P-C4' energy: -80.907 flat angles C4'-P-C4' energy: -84.551 flat angles P-C4'-P energy: -50.669 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: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -536.375069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.375069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.375069 (E_RNA) where: Base-Base interactions energy: -280.149 where: short stacking energy: -152.615 Base-Backbone interact. energy: 0.816 local terms energy: -257.041499 where: bonds (distance) C4'-P energy: -76.828 bonds (distance) P-C4' energy: -76.125 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -27.454 tors. eta vs tors. theta energy: -2.084 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: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -473.434980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.434980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.434980 (E_RNA) where: Base-Base interactions energy: -221.529 where: short stacking energy: -136.157 Base-Backbone interact. energy: 0.887 local terms energy: -252.792903 where: bonds (distance) C4'-P energy: -81.839 bonds (distance) P-C4' energy: -68.986 flat angles C4'-P-C4' energy: -66.723 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: 12.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1446.474450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.474450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.474450 (E_RNA) where: Base-Base interactions energy: -948.336 where: short stacking energy: -447.162 Base-Backbone interact. energy: -4.342 local terms energy: -493.796048 where: bonds (distance) C4'-P energy: -94.455 bonds (distance) P-C4' energy: -98.213 flat angles C4'-P-C4' energy: -104.110 flat angles P-C4'-P energy: -70.363 tors. eta vs tors. theta energy: -126.654 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: 125 Temperature: 0.950000 Total energy: -1412.121947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.121947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.121947 (E_RNA) where: Base-Base interactions energy: -923.660 where: short stacking energy: -428.407 Base-Backbone interact. energy: -1.575 local terms energy: -486.887226 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -101.827 flat angles C4'-P-C4' energy: -107.994 flat angles P-C4'-P energy: -63.189 tors. eta vs tors. theta energy: -122.763 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: 125 Temperature: 1.000000 Total energy: -1303.289547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.289547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.289547 (E_RNA) where: Base-Base interactions energy: -826.653 where: short stacking energy: -422.807 Base-Backbone interact. energy: 0.590 local terms energy: -477.226275 where: bonds (distance) C4'-P energy: -94.669 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -103.493 flat angles P-C4'-P energy: -72.081 tors. eta vs tors. theta energy: -123.427 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: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1205.906667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.906667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.906667 (E_RNA) where: Base-Base interactions energy: -782.602 where: short stacking energy: -368.075 Base-Backbone interact. energy: -2.679 local terms energy: -420.625509 where: bonds (distance) C4'-P energy: -88.322 bonds (distance) P-C4' energy: -100.628 flat angles C4'-P-C4' energy: -86.681 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -89.891 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: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1060.743977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.743977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.743977 (E_RNA) where: Base-Base interactions energy: -679.971 where: short stacking energy: -334.095 Base-Backbone interact. energy: -2.401 local terms energy: -378.371488 where: bonds (distance) C4'-P energy: -65.881 bonds (distance) P-C4' energy: -81.924 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -87.643 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: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -928.191270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.191270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.191270 (E_RNA) where: Base-Base interactions energy: -571.151 where: short stacking energy: -291.887 Base-Backbone interact. energy: -0.136 local terms energy: -356.904490 where: bonds (distance) C4'-P energy: -78.827 bonds (distance) P-C4' energy: -81.840 flat angles C4'-P-C4' energy: -77.784 flat angles P-C4'-P energy: -61.799 tors. eta vs tors. theta energy: -56.655 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: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -841.420764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.420764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.420764 (E_RNA) where: Base-Base interactions energy: -510.141 where: short stacking energy: -237.365 Base-Backbone interact. energy: 1.424 local terms energy: -332.703642 where: bonds (distance) C4'-P energy: -85.852 bonds (distance) P-C4' energy: -76.131 flat angles C4'-P-C4' energy: -90.977 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -37.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -656.189445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.189445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.189445 (E_RNA) where: Base-Base interactions energy: -344.066 where: short stacking energy: -200.207 Base-Backbone interact. energy: 0.254 local terms energy: -312.377907 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -89.751 flat angles C4'-P-C4' energy: -54.967 flat angles P-C4'-P energy: -58.680 tors. eta vs tors. theta energy: -22.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -575.542437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.542437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.542437 (E_RNA) where: Base-Base interactions energy: -289.001 where: short stacking energy: -145.152 Base-Backbone interact. energy: 1.742 local terms energy: -288.283370 where: bonds (distance) C4'-P energy: -86.953 bonds (distance) P-C4' energy: -85.988 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -1.514 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -491.710203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.710203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.710203 (E_RNA) where: Base-Base interactions energy: -255.051 where: short stacking energy: -150.853 Base-Backbone interact. energy: 2.434 local terms energy: -239.093256 where: bonds (distance) C4'-P energy: -60.186 bonds (distance) P-C4' energy: -79.812 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -32.245 tors. eta vs tors. theta energy: -6.658 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: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1442.382792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.382792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.382792 (E_RNA) where: Base-Base interactions energy: -935.458 where: short stacking energy: -435.570 Base-Backbone interact. energy: -3.484 local terms energy: -503.440596 where: bonds (distance) C4'-P energy: -96.257 bonds (distance) P-C4' energy: -104.402 flat angles C4'-P-C4' energy: -115.638 flat angles P-C4'-P energy: -68.891 tors. eta vs tors. theta energy: -118.252 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: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1382.933559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.933559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.933559 (E_RNA) where: Base-Base interactions energy: -912.365 where: short stacking energy: -416.394 Base-Backbone interact. energy: -1.640 local terms energy: -468.928567 where: bonds (distance) C4'-P energy: -92.878 bonds (distance) P-C4' energy: -93.628 flat angles C4'-P-C4' energy: -106.858 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: -113.584 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: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1308.604588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.604588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.604588 (E_RNA) where: Base-Base interactions energy: -833.604 where: short stacking energy: -406.282 Base-Backbone interact. energy: -3.035 local terms energy: -471.965001 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -91.433 flat angles C4'-P-C4' energy: -101.581 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: -119.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1227.560208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.560208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.560208 (E_RNA) where: Base-Base interactions energy: -789.447 where: short stacking energy: -374.726 Base-Backbone interact. energy: 0.856 local terms energy: -438.968715 where: bonds (distance) C4'-P energy: -92.136 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -98.562 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -105.406 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: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1039.924630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.924630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.924630 (E_RNA) where: Base-Base interactions energy: -629.942 where: short stacking energy: -331.321 Base-Backbone interact. energy: -3.533 local terms energy: -406.450379 where: bonds (distance) C4'-P energy: -77.011 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -92.059 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -80.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -921.222088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.222088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.222088 (E_RNA) where: Base-Base interactions energy: -551.571 where: short stacking energy: -272.482 Base-Backbone interact. energy: 2.072 local terms energy: -371.723258 where: bonds (distance) C4'-P energy: -77.541 bonds (distance) P-C4' energy: -90.482 flat angles C4'-P-C4' energy: -89.186 flat angles P-C4'-P energy: -49.185 tors. eta vs tors. theta energy: -65.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -815.040323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.040323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.040323 (E_RNA) where: Base-Base interactions energy: -454.005 where: short stacking energy: -232.269 Base-Backbone interact. energy: 0.628 local terms energy: -361.663901 where: bonds (distance) C4'-P energy: -86.082 bonds (distance) P-C4' energy: -93.714 flat angles C4'-P-C4' energy: -100.967 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -32.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -636.327914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.327914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.327914 (E_RNA) where: Base-Base interactions energy: -337.207 where: short stacking energy: -178.246 Base-Backbone interact. energy: -0.426 local terms energy: -298.694949 where: bonds (distance) C4'-P energy: -75.404 bonds (distance) P-C4' energy: -86.364 flat angles C4'-P-C4' energy: -76.877 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -539.953177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.953177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.953177 (E_RNA) where: Base-Base interactions energy: -265.478 where: short stacking energy: -139.777 Base-Backbone interact. energy: 3.151 local terms energy: -277.626186 where: bonds (distance) C4'-P energy: -86.872 bonds (distance) P-C4' energy: -80.040 flat angles C4'-P-C4' energy: -69.180 flat angles P-C4'-P energy: -46.296 tors. eta vs tors. theta energy: 4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -556.675804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.675804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.675804 (E_RNA) where: Base-Base interactions energy: -271.412 where: short stacking energy: -148.988 Base-Backbone interact. energy: -4.668 local terms energy: -280.595991 where: bonds (distance) C4'-P energy: -79.095 bonds (distance) P-C4' energy: -78.706 flat angles C4'-P-C4' energy: -61.371 flat angles P-C4'-P energy: -49.418 tors. eta vs tors. theta energy: -12.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1410.926486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.926486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.926486 (E_RNA) where: Base-Base interactions energy: -943.543 where: short stacking energy: -451.005 Base-Backbone interact. energy: -1.386 local terms energy: -465.997655 where: bonds (distance) C4'-P energy: -95.884 bonds (distance) P-C4' energy: -86.798 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -117.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1343.816702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.816702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.816702 (E_RNA) where: Base-Base interactions energy: -915.974 where: short stacking energy: -402.653 Base-Backbone interact. energy: -3.834 local terms energy: -424.008698 where: bonds (distance) C4'-P energy: -90.914 bonds (distance) P-C4' energy: -101.916 flat angles C4'-P-C4' energy: -82.597 flat angles P-C4'-P energy: -49.136 tors. eta vs tors. theta energy: -99.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1245.125217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.125217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.125217 (E_RNA) where: Base-Base interactions energy: -785.607 where: short stacking energy: -377.347 Base-Backbone interact. energy: -4.686 local terms energy: -454.832773 where: bonds (distance) C4'-P energy: -86.649 bonds (distance) P-C4' energy: -107.061 flat angles C4'-P-C4' energy: -94.438 flat angles P-C4'-P energy: -61.050 tors. eta vs tors. theta energy: -105.635 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: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1207.525395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.525395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.525395 (E_RNA) where: Base-Base interactions energy: -774.156 where: short stacking energy: -362.430 Base-Backbone interact. energy: -2.819 local terms energy: -430.550550 where: bonds (distance) C4'-P energy: -82.552 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -89.506 flat angles P-C4'-P energy: -62.885 tors. eta vs tors. theta energy: -104.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -984.690732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.690732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.690732 (E_RNA) where: Base-Base interactions energy: -596.025 where: short stacking energy: -314.977 Base-Backbone interact. energy: -5.381 local terms energy: -383.284185 where: bonds (distance) C4'-P energy: -83.605 bonds (distance) P-C4' energy: -85.770 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -62.057 tors. eta vs tors. theta energy: -58.243 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: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -937.173617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.173617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.173617 (E_RNA) where: Base-Base interactions energy: -574.915 where: short stacking energy: -285.903 Base-Backbone interact. energy: 0.714 local terms energy: -362.972112 where: bonds (distance) C4'-P energy: -71.117 bonds (distance) P-C4' energy: -90.533 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -62.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -854.209194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.209194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.209194 (E_RNA) where: Base-Base interactions energy: -504.950 where: short stacking energy: -259.883 Base-Backbone interact. energy: -0.860 local terms energy: -348.399329 where: bonds (distance) C4'-P energy: -80.133 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -75.017 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -59.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -625.735279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.735279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.735279 (E_RNA) where: Base-Base interactions energy: -327.165 where: short stacking energy: -159.486 Base-Backbone interact. energy: -1.878 local terms energy: -296.691878 where: bonds (distance) C4'-P energy: -87.468 bonds (distance) P-C4' energy: -83.238 flat angles C4'-P-C4' energy: -62.140 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: 2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -555.283858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.283858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.283858 (E_RNA) where: Base-Base interactions energy: -286.684 where: short stacking energy: -176.606 Base-Backbone interact. energy: -0.412 local terms energy: -268.188438 where: bonds (distance) C4'-P energy: -86.401 bonds (distance) P-C4' energy: -70.979 flat angles C4'-P-C4' energy: -60.702 flat angles P-C4'-P energy: -35.596 tors. eta vs tors. theta energy: -14.511 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: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -477.195361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.195361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.195361 (E_RNA) where: Base-Base interactions energy: -210.504 where: short stacking energy: -136.556 Base-Backbone interact. energy: 4.269 local terms energy: -270.960448 where: bonds (distance) C4'-P energy: -84.244 bonds (distance) P-C4' energy: -60.612 flat angles C4'-P-C4' energy: -70.069 flat angles P-C4'-P energy: -46.060 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1452.734973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.734973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.734973 (E_RNA) where: Base-Base interactions energy: -945.898 where: short stacking energy: -450.610 Base-Backbone interact. energy: -2.775 local terms energy: -504.061864 where: bonds (distance) C4'-P energy: -94.906 bonds (distance) P-C4' energy: -108.503 flat angles C4'-P-C4' energy: -99.019 flat angles P-C4'-P energy: -82.844 tors. eta vs tors. theta energy: -118.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1344.658199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.658199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.658199 (E_RNA) where: Base-Base interactions energy: -924.139 where: short stacking energy: -412.010 Base-Backbone interact. energy: -1.367 local terms energy: -419.152251 where: bonds (distance) C4'-P energy: -63.308 bonds (distance) P-C4' energy: -86.995 flat angles C4'-P-C4' energy: -97.708 flat angles P-C4'-P energy: -64.255 tors. eta vs tors. theta energy: -106.886 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: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1222.588010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.588010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.588010 (E_RNA) where: Base-Base interactions energy: -769.304 where: short stacking energy: -395.412 Base-Backbone interact. energy: -1.266 local terms energy: -452.017393 where: bonds (distance) C4'-P energy: -79.217 bonds (distance) P-C4' energy: -94.590 flat angles C4'-P-C4' energy: -100.034 flat angles P-C4'-P energy: -67.028 tors. eta vs tors. theta energy: -111.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1180.545740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.545740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.545740 (E_RNA) where: Base-Base interactions energy: -750.042 where: short stacking energy: -376.558 Base-Backbone interact. energy: 0.258 local terms energy: -430.762516 where: bonds (distance) C4'-P energy: -78.150 bonds (distance) P-C4' energy: -86.929 flat angles C4'-P-C4' energy: -91.349 flat angles P-C4'-P energy: -70.867 tors. eta vs tors. theta energy: -103.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1010.898290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.898290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.898290 (E_RNA) where: Base-Base interactions energy: -612.127 where: short stacking energy: -308.274 Base-Backbone interact. energy: -1.373 local terms energy: -397.397714 where: bonds (distance) C4'-P energy: -83.900 bonds (distance) P-C4' energy: -85.199 flat angles C4'-P-C4' energy: -91.740 flat angles P-C4'-P energy: -62.359 tors. eta vs tors. theta energy: -74.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -956.239106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.239106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.239106 (E_RNA) where: Base-Base interactions energy: -586.844 where: short stacking energy: -294.582 Base-Backbone interact. energy: -2.956 local terms energy: -366.439246 where: bonds (distance) C4'-P energy: -73.301 bonds (distance) P-C4' energy: -79.933 flat angles C4'-P-C4' energy: -89.802 flat angles P-C4'-P energy: -60.999 tors. eta vs tors. theta energy: -62.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -808.230127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.230127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.230127 (E_RNA) where: Base-Base interactions energy: -479.066 where: short stacking energy: -236.861 Base-Backbone interact. energy: 1.369 local terms energy: -330.532838 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -89.941 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -37.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -631.270206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.270206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.270206 (E_RNA) where: Base-Base interactions energy: -355.196 where: short stacking energy: -192.409 Base-Backbone interact. energy: -0.836 local terms energy: -275.238372 where: bonds (distance) C4'-P energy: -67.308 bonds (distance) P-C4' energy: -78.301 flat angles C4'-P-C4' energy: -83.274 flat angles P-C4'-P energy: -36.695 tors. eta vs tors. theta energy: -9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -544.759481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.759481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.759481 (E_RNA) where: Base-Base interactions energy: -284.143 where: short stacking energy: -160.165 Base-Backbone interact. energy: 4.088 local terms energy: -264.704223 where: bonds (distance) C4'-P energy: -67.769 bonds (distance) P-C4' energy: -87.609 flat angles C4'-P-C4' energy: -65.794 flat angles P-C4'-P energy: -46.666 tors. eta vs tors. theta energy: 3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -434.400799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.400799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.400799 (E_RNA) where: Base-Base interactions energy: -205.518 where: short stacking energy: -136.111 Base-Backbone interact. energy: 0.388 local terms energy: -229.269859 where: bonds (distance) C4'-P energy: -65.506 bonds (distance) P-C4' energy: -77.039 flat angles C4'-P-C4' energy: -59.473 flat angles P-C4'-P energy: -39.481 tors. eta vs tors. theta energy: 12.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1437.941490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.941490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.941490 (E_RNA) where: Base-Base interactions energy: -921.249 where: short stacking energy: -443.967 Base-Backbone interact. energy: -4.239 local terms energy: -512.452832 where: bonds (distance) C4'-P energy: -102.049 bonds (distance) P-C4' energy: -97.065 flat angles C4'-P-C4' energy: -103.657 flat angles P-C4'-P energy: -83.124 tors. eta vs tors. theta energy: -126.558 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: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1390.051271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.051271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.051271 (E_RNA) where: Base-Base interactions energy: -908.693 where: short stacking energy: -414.308 Base-Backbone interact. energy: -0.382 local terms energy: -480.976356 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -98.471 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -72.886 tors. eta vs tors. theta energy: -123.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1294.058695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.058695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.058695 (E_RNA) where: Base-Base interactions energy: -840.494 where: short stacking energy: -387.573 Base-Backbone interact. energy: -0.314 local terms energy: -453.251479 where: bonds (distance) C4'-P energy: -83.625 bonds (distance) P-C4' energy: -100.991 flat angles C4'-P-C4' energy: -95.890 flat angles P-C4'-P energy: -73.088 tors. eta vs tors. theta energy: -99.658 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: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1152.042124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.042124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.042124 (E_RNA) where: Base-Base interactions energy: -720.296 where: short stacking energy: -352.157 Base-Backbone interact. energy: 1.750 local terms energy: -433.495847 where: bonds (distance) C4'-P energy: -84.573 bonds (distance) P-C4' energy: -91.603 flat angles C4'-P-C4' energy: -94.342 flat angles P-C4'-P energy: -70.781 tors. eta vs tors. theta energy: -92.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -993.863032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.863032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.863032 (E_RNA) where: Base-Base interactions energy: -604.569 where: short stacking energy: -316.761 Base-Backbone interact. energy: -0.750 local terms energy: -388.543620 where: bonds (distance) C4'-P energy: -82.401 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -97.943 flat angles P-C4'-P energy: -55.450 tors. eta vs tors. theta energy: -71.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -957.794157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.794157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.794157 (E_RNA) where: Base-Base interactions energy: -595.794 where: short stacking energy: -299.751 Base-Backbone interact. energy: 5.259 local terms energy: -367.259097 where: bonds (distance) C4'-P energy: -73.765 bonds (distance) P-C4' energy: -96.630 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -53.155 tors. eta vs tors. theta energy: -64.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -845.082071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.082071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.082071 (E_RNA) where: Base-Base interactions energy: -523.554 where: short stacking energy: -256.900 Base-Backbone interact. energy: -1.559 local terms energy: -319.968946 where: bonds (distance) C4'-P energy: -71.498 bonds (distance) P-C4' energy: -88.897 flat angles C4'-P-C4' energy: -75.598 flat angles P-C4'-P energy: -43.518 tors. eta vs tors. theta energy: -40.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -657.582285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.582285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.582285 (E_RNA) where: Base-Base interactions energy: -351.171 where: short stacking energy: -199.943 Base-Backbone interact. energy: -3.657 local terms energy: -302.755069 where: bonds (distance) C4'-P energy: -77.205 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -46.308 tors. eta vs tors. theta energy: -25.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -583.698671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.698671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.698671 (E_RNA) where: Base-Base interactions energy: -307.915 where: short stacking energy: -163.998 Base-Backbone interact. energy: -0.480 local terms energy: -275.304057 where: bonds (distance) C4'-P energy: -66.654 bonds (distance) P-C4' energy: -91.297 flat angles C4'-P-C4' energy: -67.535 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -18.474 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: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -447.510247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.510247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.510247 (E_RNA) where: Base-Base interactions energy: -194.368 where: short stacking energy: -128.241 Base-Backbone interact. energy: -0.515 local terms energy: -252.627231 where: bonds (distance) C4'-P energy: -71.017 bonds (distance) P-C4' energy: -82.057 flat angles C4'-P-C4' energy: -75.887 flat angles P-C4'-P energy: -37.558 tors. eta vs tors. theta energy: 13.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1457.448857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.448857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.448857 (E_RNA) where: Base-Base interactions energy: -968.284 where: short stacking energy: -440.052 Base-Backbone interact. energy: -3.102 local terms energy: -486.062763 where: bonds (distance) C4'-P energy: -82.187 bonds (distance) P-C4' energy: -97.396 flat angles C4'-P-C4' energy: -104.108 flat angles P-C4'-P energy: -75.040 tors. eta vs tors. theta energy: -127.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1377.463066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.463066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.463066 (E_RNA) where: Base-Base interactions energy: -908.695 where: short stacking energy: -411.833 Base-Backbone interact. energy: -0.632 local terms energy: -468.136413 where: bonds (distance) C4'-P energy: -90.551 bonds (distance) P-C4' energy: -85.604 flat angles C4'-P-C4' energy: -110.566 flat angles P-C4'-P energy: -69.738 tors. eta vs tors. theta energy: -111.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1293.522706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.522706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.522706 (E_RNA) where: Base-Base interactions energy: -849.304 where: short stacking energy: -400.619 Base-Backbone interact. energy: 0.409 local terms energy: -444.628433 where: bonds (distance) C4'-P energy: -81.427 bonds (distance) P-C4' energy: -90.815 flat angles C4'-P-C4' energy: -98.825 flat angles P-C4'-P energy: -75.696 tors. eta vs tors. theta energy: -97.866 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: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1188.745903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.745903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.745903 (E_RNA) where: Base-Base interactions energy: -748.146 where: short stacking energy: -333.866 Base-Backbone interact. energy: -1.478 local terms energy: -439.121651 where: bonds (distance) C4'-P energy: -100.236 bonds (distance) P-C4' energy: -89.945 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -97.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1068.694410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.694410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.694410 (E_RNA) where: Base-Base interactions energy: -650.414 where: short stacking energy: -316.333 Base-Backbone interact. energy: -1.582 local terms energy: -416.697832 where: bonds (distance) C4'-P energy: -83.011 bonds (distance) P-C4' energy: -99.283 flat angles C4'-P-C4' energy: -89.730 flat angles P-C4'-P energy: -74.006 tors. eta vs tors. theta energy: -70.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -868.533279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.533279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.533279 (E_RNA) where: Base-Base interactions energy: -530.919 where: short stacking energy: -253.318 Base-Backbone interact. energy: -1.123 local terms energy: -336.491779 where: bonds (distance) C4'-P energy: -85.146 bonds (distance) P-C4' energy: -74.067 flat angles C4'-P-C4' energy: -73.273 flat angles P-C4'-P energy: -63.564 tors. eta vs tors. theta energy: -40.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -679.911549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.911549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.911549 (E_RNA) where: Base-Base interactions energy: -362.180 where: short stacking energy: -211.493 Base-Backbone interact. energy: 0.449 local terms energy: -318.180191 where: bonds (distance) C4'-P energy: -82.933 bonds (distance) P-C4' energy: -83.157 flat angles C4'-P-C4' energy: -64.478 flat angles P-C4'-P energy: -60.702 tors. eta vs tors. theta energy: -26.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -763.523307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.523307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.523307 (E_RNA) where: Base-Base interactions energy: -450.169 where: short stacking energy: -231.511 Base-Backbone interact. energy: -2.142 local terms energy: -311.211767 where: bonds (distance) C4'-P energy: -82.927 bonds (distance) P-C4' energy: -73.848 flat angles C4'-P-C4' energy: -72.565 flat angles P-C4'-P energy: -47.760 tors. eta vs tors. theta energy: -34.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -569.664846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.664846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.664846 (E_RNA) where: Base-Base interactions energy: -302.513 where: short stacking energy: -148.470 Base-Backbone interact. energy: -0.394 local terms energy: -266.757731 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -88.573 flat angles C4'-P-C4' energy: -67.838 flat angles P-C4'-P energy: -39.349 tors. eta vs tors. theta energy: -7.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -468.588044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.588044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.588044 (E_RNA) where: Base-Base interactions energy: -219.440 where: short stacking energy: -130.370 Base-Backbone interact. energy: -2.194 local terms energy: -246.954555 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -82.528 flat angles C4'-P-C4' energy: -74.702 flat angles P-C4'-P energy: -30.774 tors. eta vs tors. theta energy: 8.420 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: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1455.190093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.190093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.190093 (E_RNA) where: Base-Base interactions energy: -980.248 where: short stacking energy: -437.339 Base-Backbone interact. energy: 0.724 local terms energy: -475.666503 where: bonds (distance) C4'-P energy: -85.111 bonds (distance) P-C4' energy: -88.802 flat angles C4'-P-C4' energy: -109.247 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -119.310 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: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1366.144417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.144417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.144417 (E_RNA) where: Base-Base interactions energy: -888.383 where: short stacking energy: -409.641 Base-Backbone interact. energy: 1.228 local terms energy: -478.989990 where: bonds (distance) C4'-P energy: -87.825 bonds (distance) P-C4' energy: -103.439 flat angles C4'-P-C4' energy: -104.061 flat angles P-C4'-P energy: -64.869 tors. eta vs tors. theta energy: -118.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1301.085220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.085220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.085220 (E_RNA) where: Base-Base interactions energy: -822.528 where: short stacking energy: -403.207 Base-Backbone interact. energy: 0.329 local terms energy: -478.886260 where: bonds (distance) C4'-P energy: -86.498 bonds (distance) P-C4' energy: -91.243 flat angles C4'-P-C4' energy: -109.114 flat angles P-C4'-P energy: -74.932 tors. eta vs tors. theta energy: -117.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1170.075962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.075962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.075962 (E_RNA) where: Base-Base interactions energy: -747.243 where: short stacking energy: -359.733 Base-Backbone interact. energy: 0.055 local terms energy: -422.887686 where: bonds (distance) C4'-P energy: -85.468 bonds (distance) P-C4' energy: -82.154 flat angles C4'-P-C4' energy: -100.014 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: -90.733 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: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1087.096112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.096112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.096112 (E_RNA) where: Base-Base interactions energy: -671.627 where: short stacking energy: -320.549 Base-Backbone interact. energy: -1.277 local terms energy: -414.191586 where: bonds (distance) C4'-P energy: -77.098 bonds (distance) P-C4' energy: -84.852 flat angles C4'-P-C4' energy: -96.719 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -91.234 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: 131 Temperature: 1.150000 Total energy: -885.846411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.846411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.846411 (E_RNA) where: Base-Base interactions energy: -544.964 where: short stacking energy: -266.722 Base-Backbone interact. energy: 0.071 local terms energy: -340.954056 where: bonds (distance) C4'-P energy: -84.071 bonds (distance) P-C4' energy: -77.491 flat angles C4'-P-C4' energy: -95.845 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: -40.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -657.623697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.623697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.623697 (E_RNA) where: Base-Base interactions energy: -339.140 where: short stacking energy: -183.954 Base-Backbone interact. energy: 3.093 local terms energy: -321.576836 where: bonds (distance) C4'-P energy: -82.915 bonds (distance) P-C4' energy: -105.710 flat angles C4'-P-C4' energy: -66.798 flat angles P-C4'-P energy: -46.366 tors. eta vs tors. theta energy: -19.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -745.024870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.024870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.024870 (E_RNA) where: Base-Base interactions energy: -418.477 where: short stacking energy: -204.420 Base-Backbone interact. energy: 2.556 local terms energy: -329.104231 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -99.515 flat angles C4'-P-C4' energy: -85.430 flat angles P-C4'-P energy: -46.624 tors. eta vs tors. theta energy: -20.882 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: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -527.044770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.044770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.044770 (E_RNA) where: Base-Base interactions energy: -249.678 where: short stacking energy: -156.050 Base-Backbone interact. energy: 0.312 local terms energy: -277.678480 where: bonds (distance) C4'-P energy: -79.518 bonds (distance) P-C4' energy: -78.983 flat angles C4'-P-C4' energy: -79.891 flat angles P-C4'-P energy: -45.165 tors. eta vs tors. theta energy: 5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -466.199927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.199927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.199927 (E_RNA) where: Base-Base interactions energy: -234.709 where: short stacking energy: -148.260 Base-Backbone interact. energy: -1.811 local terms energy: -229.679737 where: bonds (distance) C4'-P energy: -66.066 bonds (distance) P-C4' energy: -76.605 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -23.248 tors. eta vs tors. theta energy: 5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1431.225255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.225255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.225255 (E_RNA) where: Base-Base interactions energy: -947.622 where: short stacking energy: -405.722 Base-Backbone interact. energy: -2.351 local terms energy: -481.253054 where: bonds (distance) C4'-P energy: -85.073 bonds (distance) P-C4' energy: -104.636 flat angles C4'-P-C4' energy: -104.644 flat angles P-C4'-P energy: -66.140 tors. eta vs tors. theta energy: -120.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1344.804530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.804530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.804530 (E_RNA) where: Base-Base interactions energy: -887.565 where: short stacking energy: -424.994 Base-Backbone interact. energy: 2.183 local terms energy: -459.421635 where: bonds (distance) C4'-P energy: -84.325 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -100.491 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -108.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1298.052380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.052380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.052380 (E_RNA) where: Base-Base interactions energy: -809.014 where: short stacking energy: -370.811 Base-Backbone interact. energy: -1.050 local terms energy: -487.988706 where: bonds (distance) C4'-P energy: -93.313 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -99.136 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -106.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1167.699525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.699525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.699525 (E_RNA) where: Base-Base interactions energy: -734.174 where: short stacking energy: -349.554 Base-Backbone interact. energy: -3.404 local terms energy: -430.120743 where: bonds (distance) C4'-P energy: -90.782 bonds (distance) P-C4' energy: -97.040 flat angles C4'-P-C4' energy: -89.460 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -86.103 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: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1109.074484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.074484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.074484 (E_RNA) where: Base-Base interactions energy: -688.796 where: short stacking energy: -336.096 Base-Backbone interact. energy: -3.583 local terms energy: -416.695581 where: bonds (distance) C4'-P energy: -85.398 bonds (distance) P-C4' energy: -93.758 flat angles C4'-P-C4' energy: -85.156 flat angles P-C4'-P energy: -60.709 tors. eta vs tors. theta energy: -91.675 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: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -913.294424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.294424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.294424 (E_RNA) where: Base-Base interactions energy: -524.077 where: short stacking energy: -281.446 Base-Backbone interact. energy: -0.428 local terms energy: -388.789119 where: bonds (distance) C4'-P energy: -81.870 bonds (distance) P-C4' energy: -85.226 flat angles C4'-P-C4' energy: -91.362 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -58.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -727.484703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.484703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.484703 (E_RNA) where: Base-Base interactions energy: -398.168 where: short stacking energy: -202.222 Base-Backbone interact. energy: -1.843 local terms energy: -327.474083 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -99.009 flat angles C4'-P-C4' energy: -77.733 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -23.372 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: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -616.614951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.614951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.614951 (E_RNA) where: Base-Base interactions energy: -323.649 where: short stacking energy: -187.836 Base-Backbone interact. energy: 0.814 local terms energy: -293.780310 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -90.478 flat angles C4'-P-C4' energy: -79.225 flat angles P-C4'-P energy: -42.286 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -516.947851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.947851 (E_RNA) where: Base-Base interactions energy: -258.249 where: short stacking energy: -170.777 Base-Backbone interact. energy: 2.614 local terms energy: -261.312819 where: bonds (distance) C4'-P energy: -64.386 bonds (distance) P-C4' energy: -71.627 flat angles C4'-P-C4' energy: -67.068 flat angles P-C4'-P energy: -36.001 tors. eta vs tors. theta energy: -22.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -453.169846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.169846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.169846 (E_RNA) where: Base-Base interactions energy: -220.490 where: short stacking energy: -144.913 Base-Backbone interact. energy: 4.700 local terms energy: -237.379345 where: bonds (distance) C4'-P energy: -83.740 bonds (distance) P-C4' energy: -65.999 flat angles C4'-P-C4' energy: -71.139 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: 12.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1454.349467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.349467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.349467 (E_RNA) where: Base-Base interactions energy: -955.266 where: short stacking energy: -431.972 Base-Backbone interact. energy: 0.494 local terms energy: -499.577402 where: bonds (distance) C4'-P energy: -102.444 bonds (distance) P-C4' energy: -85.010 flat angles C4'-P-C4' energy: -110.307 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -126.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1376.873368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.873368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.873368 (E_RNA) where: Base-Base interactions energy: -908.150 where: short stacking energy: -419.251 Base-Backbone interact. energy: -1.635 local terms energy: -467.088630 where: bonds (distance) C4'-P energy: -98.279 bonds (distance) P-C4' energy: -97.836 flat angles C4'-P-C4' energy: -99.672 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: -112.851 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: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1315.257592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.257592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.257592 (E_RNA) where: Base-Base interactions energy: -841.672 where: short stacking energy: -410.601 Base-Backbone interact. energy: -1.764 local terms energy: -471.821867 where: bonds (distance) C4'-P energy: -94.065 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -115.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1159.628657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.628657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.628657 (E_RNA) where: Base-Base interactions energy: -721.356 where: short stacking energy: -326.506 Base-Backbone interact. energy: -2.632 local terms energy: -435.640834 where: bonds (distance) C4'-P energy: -94.950 bonds (distance) P-C4' energy: -90.781 flat angles C4'-P-C4' energy: -92.635 flat angles P-C4'-P energy: -65.390 tors. eta vs tors. theta energy: -91.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1101.727790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.727790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.727790 (E_RNA) where: Base-Base interactions energy: -686.425 where: short stacking energy: -324.111 Base-Backbone interact. energy: -2.131 local terms energy: -413.171507 where: bonds (distance) C4'-P energy: -86.458 bonds (distance) P-C4' energy: -94.618 flat angles C4'-P-C4' energy: -97.438 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -90.038 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: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -775.461442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.461442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.461442 (E_RNA) where: Base-Base interactions energy: -429.459 where: short stacking energy: -245.541 Base-Backbone interact. energy: -0.932 local terms energy: -345.070756 where: bonds (distance) C4'-P energy: -79.144 bonds (distance) P-C4' energy: -85.489 flat angles C4'-P-C4' energy: -82.843 flat angles P-C4'-P energy: -56.262 tors. eta vs tors. theta energy: -41.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -770.694658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.694658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.694658 (E_RNA) where: Base-Base interactions energy: -457.993 where: short stacking energy: -252.288 Base-Backbone interact. energy: 0.245 local terms energy: -312.946391 where: bonds (distance) C4'-P energy: -79.248 bonds (distance) P-C4' energy: -88.144 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: -42.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -577.187007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.187007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.187007 (E_RNA) where: Base-Base interactions energy: -271.982 where: short stacking energy: -145.231 Base-Backbone interact. energy: 2.769 local terms energy: -307.973750 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -85.752 flat angles C4'-P-C4' energy: -70.138 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -16.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -554.790680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.790680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.790680 (E_RNA) where: Base-Base interactions energy: -277.950 where: short stacking energy: -140.386 Base-Backbone interact. energy: 1.900 local terms energy: -278.741106 where: bonds (distance) C4'-P energy: -78.307 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -60.567 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -3.526 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: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -459.216446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.216446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.216446 (E_RNA) where: Base-Base interactions energy: -212.104 where: short stacking energy: -128.599 Base-Backbone interact. energy: -0.356 local terms energy: -246.755870 where: bonds (distance) C4'-P energy: -76.755 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -72.519 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: 16.909 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: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1438.983947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.983947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.983947 (E_RNA) where: Base-Base interactions energy: -955.802 where: short stacking energy: -402.401 Base-Backbone interact. energy: -1.413 local terms energy: -481.769056 where: bonds (distance) C4'-P energy: -93.008 bonds (distance) P-C4' energy: -93.832 flat angles C4'-P-C4' energy: -107.728 flat angles P-C4'-P energy: -69.458 tors. eta vs tors. theta energy: -117.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1391.143078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.143078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.143078 (E_RNA) where: Base-Base interactions energy: -900.812 where: short stacking energy: -427.431 Base-Backbone interact. energy: -5.138 local terms energy: -485.192443 where: bonds (distance) C4'-P energy: -94.256 bonds (distance) P-C4' energy: -91.906 flat angles C4'-P-C4' energy: -102.252 flat angles P-C4'-P energy: -70.564 tors. eta vs tors. theta energy: -126.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1297.207942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.207942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.207942 (E_RNA) where: Base-Base interactions energy: -833.947 where: short stacking energy: -396.511 Base-Backbone interact. energy: -0.701 local terms energy: -462.559891 where: bonds (distance) C4'-P energy: -86.545 bonds (distance) P-C4' energy: -97.557 flat angles C4'-P-C4' energy: -91.309 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -123.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1145.308947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.308947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.308947 (E_RNA) where: Base-Base interactions energy: -718.867 where: short stacking energy: -327.835 Base-Backbone interact. energy: -1.206 local terms energy: -425.236025 where: bonds (distance) C4'-P energy: -82.840 bonds (distance) P-C4' energy: -88.744 flat angles C4'-P-C4' energy: -95.494 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -97.330 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: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1142.143483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.143483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.143483 (E_RNA) where: Base-Base interactions energy: -731.727 where: short stacking energy: -342.164 Base-Backbone interact. energy: 0.008 local terms energy: -410.424827 where: bonds (distance) C4'-P energy: -90.002 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -96.322 flat angles P-C4'-P energy: -57.142 tors. eta vs tors. theta energy: -76.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -791.521123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.521123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.521123 (E_RNA) where: Base-Base interactions energy: -472.209 where: short stacking energy: -240.778 Base-Backbone interact. energy: 1.191 local terms energy: -320.503188 where: bonds (distance) C4'-P energy: -90.149 bonds (distance) P-C4' energy: -82.536 flat angles C4'-P-C4' energy: -75.049 flat angles P-C4'-P energy: -50.489 tors. eta vs tors. theta energy: -22.280 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: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -724.596456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.596456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.596456 (E_RNA) where: Base-Base interactions energy: -396.633 where: short stacking energy: -211.073 Base-Backbone interact. energy: 0.033 local terms energy: -327.996035 where: bonds (distance) C4'-P energy: -85.975 bonds (distance) P-C4' energy: -72.922 flat angles C4'-P-C4' energy: -91.586 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -28.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -613.136013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.136013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.136013 (E_RNA) where: Base-Base interactions energy: -338.543 where: short stacking energy: -180.650 Base-Backbone interact. energy: 6.483 local terms energy: -281.076089 where: bonds (distance) C4'-P energy: -69.297 bonds (distance) P-C4' energy: -76.197 flat angles C4'-P-C4' energy: -70.076 flat angles P-C4'-P energy: -60.903 tors. eta vs tors. theta energy: -4.603 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: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -499.382146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.382146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.382146 (E_RNA) where: Base-Base interactions energy: -238.753 where: short stacking energy: -165.090 Base-Backbone interact. energy: 1.731 local terms energy: -262.360698 where: bonds (distance) C4'-P energy: -75.879 bonds (distance) P-C4' energy: -84.663 flat angles C4'-P-C4' energy: -59.367 flat angles P-C4'-P energy: -27.995 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -540.541560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.541560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.541560 (E_RNA) where: Base-Base interactions energy: -260.376 where: short stacking energy: -146.919 Base-Backbone interact. energy: -0.788 local terms energy: -279.377646 where: bonds (distance) C4'-P energy: -77.874 bonds (distance) P-C4' energy: -89.813 flat angles C4'-P-C4' energy: -61.624 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -10.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1407.685957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.685957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.685957 (E_RNA) where: Base-Base interactions energy: -938.045 where: short stacking energy: -427.161 Base-Backbone interact. energy: -1.870 local terms energy: -467.770985 where: bonds (distance) C4'-P energy: -94.915 bonds (distance) P-C4' energy: -87.306 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -66.871 tors. eta vs tors. theta energy: -111.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1314.128503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.128503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.128503 (E_RNA) where: Base-Base interactions energy: -842.199 where: short stacking energy: -377.509 Base-Backbone interact. energy: -2.617 local terms energy: -469.313219 where: bonds (distance) C4'-P energy: -101.523 bonds (distance) P-C4' energy: -103.181 flat angles C4'-P-C4' energy: -98.186 flat angles P-C4'-P energy: -64.797 tors. eta vs tors. theta energy: -101.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1319.743889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.743889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.743889 (E_RNA) where: Base-Base interactions energy: -866.473 where: short stacking energy: -385.844 Base-Backbone interact. energy: -2.694 local terms energy: -450.576701 where: bonds (distance) C4'-P energy: -93.019 bonds (distance) P-C4' energy: -82.661 flat angles C4'-P-C4' energy: -100.446 flat angles P-C4'-P energy: -66.497 tors. eta vs tors. theta energy: -107.952 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: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1153.815387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.815387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.815387 (E_RNA) where: Base-Base interactions energy: -744.527 where: short stacking energy: -359.405 Base-Backbone interact. energy: -0.077 local terms energy: -409.211755 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -97.021 flat angles C4'-P-C4' energy: -92.395 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -89.394 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: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1110.692007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.692007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.692007 (E_RNA) where: Base-Base interactions energy: -708.652 where: short stacking energy: -348.082 Base-Backbone interact. energy: -2.402 local terms energy: -399.638665 where: bonds (distance) C4'-P energy: -90.168 bonds (distance) P-C4' energy: -84.567 flat angles C4'-P-C4' energy: -84.539 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -91.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -785.013864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.013864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.013864 (E_RNA) where: Base-Base interactions energy: -446.153 where: short stacking energy: -216.880 Base-Backbone interact. energy: -0.438 local terms energy: -338.422698 where: bonds (distance) C4'-P energy: -78.342 bonds (distance) P-C4' energy: -93.262 flat angles C4'-P-C4' energy: -91.562 flat angles P-C4'-P energy: -43.286 tors. eta vs tors. theta energy: -31.970 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: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -709.966430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.966430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.966430 (E_RNA) where: Base-Base interactions energy: -394.387 where: short stacking energy: -210.989 Base-Backbone interact. energy: -0.888 local terms energy: -314.691448 where: bonds (distance) C4'-P energy: -92.876 bonds (distance) P-C4' energy: -82.792 flat angles C4'-P-C4' energy: -67.596 flat angles P-C4'-P energy: -35.134 tors. eta vs tors. theta energy: -36.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -724.547059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.547059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.547059 (E_RNA) where: Base-Base interactions energy: -410.033 where: short stacking energy: -217.201 Base-Backbone interact. energy: 0.171 local terms energy: -314.684953 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -43.003 tors. eta vs tors. theta energy: -32.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -496.034580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.034580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.034580 (E_RNA) where: Base-Base interactions energy: -212.808 where: short stacking energy: -126.725 Base-Backbone interact. energy: -3.903 local terms energy: -279.323841 where: bonds (distance) C4'-P energy: -70.622 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -79.436 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: 13.121 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: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -503.075362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.075362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.075362 (E_RNA) where: Base-Base interactions energy: -205.625 where: short stacking energy: -121.582 Base-Backbone interact. energy: 4.328 local terms energy: -301.777748 where: bonds (distance) C4'-P energy: -83.217 bonds (distance) P-C4' energy: -87.894 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: 7.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1435.457245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.457245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.457245 (E_RNA) where: Base-Base interactions energy: -979.983 where: short stacking energy: -422.641 Base-Backbone interact. energy: -2.021 local terms energy: -453.452749 where: bonds (distance) C4'-P energy: -91.130 bonds (distance) P-C4' energy: -101.254 flat angles C4'-P-C4' energy: -100.123 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: -104.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1317.062552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.062552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.062552 (E_RNA) where: Base-Base interactions energy: -853.757 where: short stacking energy: -400.160 Base-Backbone interact. energy: -2.399 local terms energy: -460.906247 where: bonds (distance) C4'-P energy: -94.822 bonds (distance) P-C4' energy: -98.279 flat angles C4'-P-C4' energy: -104.813 flat angles P-C4'-P energy: -63.388 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: 3, replica: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1318.354226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.354226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.354226 (E_RNA) where: Base-Base interactions energy: -864.312 where: short stacking energy: -381.144 Base-Backbone interact. energy: -2.210 local terms energy: -451.832241 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -100.476 flat angles C4'-P-C4' energy: -101.289 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -101.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1178.855924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.855924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.855924 (E_RNA) where: Base-Base interactions energy: -725.105 where: short stacking energy: -368.955 Base-Backbone interact. energy: -1.056 local terms energy: -452.694925 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -94.631 flat angles C4'-P-C4' energy: -94.465 flat angles P-C4'-P energy: -57.887 tors. eta vs tors. theta energy: -103.865 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: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1145.700991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.700991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.700991 (E_RNA) where: Base-Base interactions energy: -745.543 where: short stacking energy: -348.487 Base-Backbone interact. energy: -3.108 local terms energy: -397.049554 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -76.718 flat angles C4'-P-C4' energy: -89.730 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -92.268 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: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -814.203080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.203080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.203080 (E_RNA) where: Base-Base interactions energy: -478.209 where: short stacking energy: -229.996 Base-Backbone interact. energy: -2.446 local terms energy: -333.548204 where: bonds (distance) C4'-P energy: -87.998 bonds (distance) P-C4' energy: -83.650 flat angles C4'-P-C4' energy: -73.194 flat angles P-C4'-P energy: -49.250 tors. eta vs tors. theta energy: -39.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -726.263820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.263820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.263820 (E_RNA) where: Base-Base interactions energy: -405.632 where: short stacking energy: -211.508 Base-Backbone interact. energy: -0.469 local terms energy: -320.163053 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -95.343 flat angles C4'-P-C4' energy: -66.996 flat angles P-C4'-P energy: -55.811 tors. eta vs tors. theta energy: -25.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -709.806074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.806074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.806074 (E_RNA) where: Base-Base interactions energy: -395.559 where: short stacking energy: -215.319 Base-Backbone interact. energy: -3.472 local terms energy: -310.774342 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -64.710 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: -42.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -488.398115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.398115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.398115 (E_RNA) where: Base-Base interactions energy: -215.311 where: short stacking energy: -138.277 Base-Backbone interact. energy: 4.380 local terms energy: -277.466718 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -86.961 flat angles C4'-P-C4' energy: -72.908 flat angles P-C4'-P energy: -49.072 tors. eta vs tors. theta energy: 8.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -493.035751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.035751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.035751 (E_RNA) where: Base-Base interactions energy: -230.702 where: short stacking energy: -144.264 Base-Backbone interact. energy: 0.010 local terms energy: -262.343876 where: bonds (distance) C4'-P energy: -83.234 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -69.972 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1430.531306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.531306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.531306 (E_RNA) where: Base-Base interactions energy: -929.551 where: short stacking energy: -440.464 Base-Backbone interact. energy: -0.905 local terms energy: -500.075641 where: bonds (distance) C4'-P energy: -106.437 bonds (distance) P-C4' energy: -101.402 flat angles C4'-P-C4' energy: -110.597 flat angles P-C4'-P energy: -69.153 tors. eta vs tors. theta energy: -112.487 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: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1351.747927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.747927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.747927 (E_RNA) where: Base-Base interactions energy: -849.371 where: short stacking energy: -439.670 Base-Backbone interact. energy: -0.205 local terms energy: -502.172101 where: bonds (distance) C4'-P energy: -97.035 bonds (distance) P-C4' energy: -95.192 flat angles C4'-P-C4' energy: -103.135 flat angles P-C4'-P energy: -81.203 tors. eta vs tors. theta energy: -125.607 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1301.545726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.545726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.545726 (E_RNA) where: Base-Base interactions energy: -850.453 where: short stacking energy: -390.555 Base-Backbone interact. energy: -4.780 local terms energy: -446.312739 where: bonds (distance) C4'-P energy: -91.622 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -91.779 flat angles P-C4'-P energy: -64.708 tors. eta vs tors. theta energy: -99.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1140.165094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.165094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.165094 (E_RNA) where: Base-Base interactions energy: -696.749 where: short stacking energy: -372.628 Base-Backbone interact. energy: -1.508 local terms energy: -441.908025 where: bonds (distance) C4'-P energy: -80.598 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -98.283 flat angles P-C4'-P energy: -60.052 tors. eta vs tors. theta energy: -104.426 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: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1158.260470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.260470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.260470 (E_RNA) where: Base-Base interactions energy: -724.977 where: short stacking energy: -332.827 Base-Backbone interact. energy: 0.701 local terms energy: -433.984838 where: bonds (distance) C4'-P energy: -90.892 bonds (distance) P-C4' energy: -90.752 flat angles C4'-P-C4' energy: -101.008 flat angles P-C4'-P energy: -55.525 tors. eta vs tors. theta energy: -95.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -858.317923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.317923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.317923 (E_RNA) where: Base-Base interactions energy: -514.008 where: short stacking energy: -227.591 Base-Backbone interact. energy: 1.713 local terms energy: -346.023761 where: bonds (distance) C4'-P energy: -90.675 bonds (distance) P-C4' energy: -86.628 flat angles C4'-P-C4' energy: -93.556 flat angles P-C4'-P energy: -37.708 tors. eta vs tors. theta energy: -37.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -733.979281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.979281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.979281 (E_RNA) where: Base-Base interactions energy: -405.047 where: short stacking energy: -215.164 Base-Backbone interact. energy: -0.439 local terms energy: -328.493724 where: bonds (distance) C4'-P energy: -88.089 bonds (distance) P-C4' energy: -75.548 flat angles C4'-P-C4' energy: -85.000 flat angles P-C4'-P energy: -47.763 tors. eta vs tors. theta energy: -32.094 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: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -689.036367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.036367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.036367 (E_RNA) where: Base-Base interactions energy: -372.787 where: short stacking energy: -208.376 Base-Backbone interact. energy: 1.197 local terms energy: -317.445480 where: bonds (distance) C4'-P energy: -80.555 bonds (distance) P-C4' energy: -81.385 flat angles C4'-P-C4' energy: -73.510 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: -31.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -449.980275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.980275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.980275 (E_RNA) where: Base-Base interactions energy: -204.573 where: short stacking energy: -136.897 Base-Backbone interact. energy: 1.457 local terms energy: -246.864641 where: bonds (distance) C4'-P energy: -78.427 bonds (distance) P-C4' energy: -84.686 flat angles C4'-P-C4' energy: -55.418 flat angles P-C4'-P energy: -39.841 tors. eta vs tors. theta energy: 11.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -442.561934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.561934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.561934 (E_RNA) where: Base-Base interactions energy: -202.207 where: short stacking energy: -128.320 Base-Backbone interact. energy: 0.827 local terms energy: -241.182197 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -80.663 flat angles C4'-P-C4' energy: -65.594 flat angles P-C4'-P energy: -25.826 tors. eta vs tors. theta energy: 2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1445.852766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.852766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.852766 (E_RNA) where: Base-Base interactions energy: -951.645 where: short stacking energy: -427.994 Base-Backbone interact. energy: -2.034 local terms energy: -492.173309 where: bonds (distance) C4'-P energy: -106.646 bonds (distance) P-C4' energy: -94.923 flat angles C4'-P-C4' energy: -108.002 flat angles P-C4'-P energy: -69.451 tors. eta vs tors. theta energy: -113.151 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: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1336.203662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.203662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.203662 (E_RNA) where: Base-Base interactions energy: -876.735 where: short stacking energy: -420.864 Base-Backbone interact. energy: -0.439 local terms energy: -459.029971 where: bonds (distance) C4'-P energy: -90.658 bonds (distance) P-C4' energy: -93.730 flat angles C4'-P-C4' energy: -94.355 flat angles P-C4'-P energy: -59.109 tors. eta vs tors. theta energy: -121.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1301.903591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.903591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.903591 (E_RNA) where: Base-Base interactions energy: -850.831 where: short stacking energy: -368.816 Base-Backbone interact. energy: 0.983 local terms energy: -452.055770 where: bonds (distance) C4'-P energy: -96.122 bonds (distance) P-C4' energy: -88.954 flat angles C4'-P-C4' energy: -101.498 flat angles P-C4'-P energy: -73.146 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: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1159.653249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.653249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.653249 (E_RNA) where: Base-Base interactions energy: -710.579 where: short stacking energy: -363.563 Base-Backbone interact. energy: -0.866 local terms energy: -448.208110 where: bonds (distance) C4'-P energy: -87.295 bonds (distance) P-C4' energy: -95.628 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -61.476 tors. eta vs tors. theta energy: -112.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1156.307935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.307935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.307935 (E_RNA) where: Base-Base interactions energy: -740.791 where: short stacking energy: -351.371 Base-Backbone interact. energy: -1.709 local terms energy: -413.807954 where: bonds (distance) C4'-P energy: -89.779 bonds (distance) P-C4' energy: -85.135 flat angles C4'-P-C4' energy: -82.832 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -97.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -835.230954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.230954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.230954 (E_RNA) where: Base-Base interactions energy: -510.562 where: short stacking energy: -227.469 Base-Backbone interact. energy: 1.722 local terms energy: -326.391740 where: bonds (distance) C4'-P energy: -79.476 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -65.010 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -45.356 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: 138 Temperature: 1.200000 Total energy: -745.245141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.245141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.245141 (E_RNA) where: Base-Base interactions energy: -398.970 where: short stacking energy: -230.360 Base-Backbone interact. energy: 0.444 local terms energy: -346.718638 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -93.275 flat angles C4'-P-C4' energy: -82.985 flat angles P-C4'-P energy: -46.844 tors. eta vs tors. theta energy: -41.165 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: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -686.512684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.512684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.512684 (E_RNA) where: Base-Base interactions energy: -398.430 where: short stacking energy: -201.379 Base-Backbone interact. energy: 3.767 local terms energy: -291.850274 where: bonds (distance) C4'-P energy: -75.721 bonds (distance) P-C4' energy: -77.688 flat angles C4'-P-C4' energy: -77.267 flat angles P-C4'-P energy: -45.369 tors. eta vs tors. theta energy: -15.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -498.125867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.125867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.125867 (E_RNA) where: Base-Base interactions energy: -216.637 where: short stacking energy: -125.208 Base-Backbone interact. energy: 3.321 local terms energy: -284.809734 where: bonds (distance) C4'-P energy: -79.168 bonds (distance) P-C4' energy: -75.562 flat angles C4'-P-C4' energy: -71.150 flat angles P-C4'-P energy: -50.208 tors. eta vs tors. theta energy: -8.721 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: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -454.056735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.056735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.056735 (E_RNA) where: Base-Base interactions energy: -192.297 where: short stacking energy: -118.126 Base-Backbone interact. energy: -1.723 local terms energy: -260.036893 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -84.224 flat angles C4'-P-C4' energy: -97.324 flat angles P-C4'-P energy: -32.160 tors. eta vs tors. theta energy: 27.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1448.521655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.521655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.521655 (E_RNA) where: Base-Base interactions energy: -973.711 where: short stacking energy: -427.369 Base-Backbone interact. energy: 0.279 local terms energy: -475.089635 where: bonds (distance) C4'-P energy: -88.677 bonds (distance) P-C4' energy: -97.513 flat angles C4'-P-C4' energy: -94.888 flat angles P-C4'-P energy: -75.530 tors. eta vs tors. theta energy: -118.482 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: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1344.754332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.754332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.754332 (E_RNA) where: Base-Base interactions energy: -886.116 where: short stacking energy: -425.641 Base-Backbone interact. energy: -0.376 local terms energy: -458.261636 where: bonds (distance) C4'-P energy: -80.960 bonds (distance) P-C4' energy: -105.314 flat angles C4'-P-C4' energy: -99.432 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: -113.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1265.520156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.520156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.520156 (E_RNA) where: Base-Base interactions energy: -836.825 where: short stacking energy: -356.965 Base-Backbone interact. energy: -1.754 local terms energy: -426.941478 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -93.918 flat angles C4'-P-C4' energy: -88.505 flat angles P-C4'-P energy: -54.886 tors. eta vs tors. theta energy: -92.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1193.220384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.220384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.220384 (E_RNA) where: Base-Base interactions energy: -762.698 where: short stacking energy: -363.859 Base-Backbone interact. energy: -3.027 local terms energy: -427.494916 where: bonds (distance) C4'-P energy: -93.973 bonds (distance) P-C4' energy: -80.730 flat angles C4'-P-C4' energy: -101.654 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -98.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1105.427144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.427144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.427144 (E_RNA) where: Base-Base interactions energy: -692.215 where: short stacking energy: -354.649 Base-Backbone interact. energy: 1.935 local terms energy: -415.147519 where: bonds (distance) C4'-P energy: -86.619 bonds (distance) P-C4' energy: -81.809 flat angles C4'-P-C4' energy: -89.808 flat angles P-C4'-P energy: -66.146 tors. eta vs tors. theta energy: -90.765 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: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -793.644527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.644527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.644527 (E_RNA) where: Base-Base interactions energy: -431.539 where: short stacking energy: -238.153 Base-Backbone interact. energy: 0.269 local terms energy: -362.374298 where: bonds (distance) C4'-P energy: -86.387 bonds (distance) P-C4' energy: -89.576 flat angles C4'-P-C4' energy: -83.770 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -50.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -709.148842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.148842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.148842 (E_RNA) where: Base-Base interactions energy: -407.966 where: short stacking energy: -208.263 Base-Backbone interact. energy: -1.979 local terms energy: -299.203984 where: bonds (distance) C4'-P energy: -87.919 bonds (distance) P-C4' energy: -88.199 flat angles C4'-P-C4' energy: -67.775 flat angles P-C4'-P energy: -35.140 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -682.749570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.749570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.749570 (E_RNA) where: Base-Base interactions energy: -363.033 where: short stacking energy: -222.100 Base-Backbone interact. energy: 0.493 local terms energy: -320.210343 where: bonds (distance) C4'-P energy: -88.577 bonds (distance) P-C4' energy: -78.781 flat angles C4'-P-C4' energy: -76.785 flat angles P-C4'-P energy: -31.017 tors. eta vs tors. theta energy: -45.051 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: 4 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -510.857963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.857963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.857963 (E_RNA) where: Base-Base interactions energy: -257.451 where: short stacking energy: -156.486 Base-Backbone interact. energy: 2.061 local terms energy: -255.467879 where: bonds (distance) C4'-P energy: -71.355 bonds (distance) P-C4' energy: -68.112 flat angles C4'-P-C4' energy: -89.498 flat angles P-C4'-P energy: -38.392 tors. eta vs tors. theta energy: 11.889 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: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -414.594205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.594205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.594205 (E_RNA) where: Base-Base interactions energy: -163.321 where: short stacking energy: -112.677 Base-Backbone interact. energy: 1.346 local terms energy: -252.619119 where: bonds (distance) C4'-P energy: -71.128 bonds (distance) P-C4' energy: -82.603 flat angles C4'-P-C4' energy: -63.891 flat angles P-C4'-P energy: -35.098 tors. eta vs tors. theta energy: 0.101 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: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1458.658739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.658739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.658739 (E_RNA) where: Base-Base interactions energy: -964.196 where: short stacking energy: -435.732 Base-Backbone interact. energy: -0.350 local terms energy: -494.112615 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -104.118 flat angles C4'-P-C4' energy: -110.712 flat angles P-C4'-P energy: -67.825 tors. eta vs tors. theta energy: -117.937 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: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1347.465306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.465306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.465306 (E_RNA) where: Base-Base interactions energy: -861.650 where: short stacking energy: -399.302 Base-Backbone interact. energy: -1.080 local terms energy: -484.735070 where: bonds (distance) C4'-P energy: -86.983 bonds (distance) P-C4' energy: -101.829 flat angles C4'-P-C4' energy: -103.216 flat angles P-C4'-P energy: -72.799 tors. eta vs tors. theta energy: -119.908 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: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1278.631080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.631080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.631080 (E_RNA) where: Base-Base interactions energy: -820.012 where: short stacking energy: -402.042 Base-Backbone interact. energy: -1.740 local terms energy: -456.879375 where: bonds (distance) C4'-P energy: -87.840 bonds (distance) P-C4' energy: -103.402 flat angles C4'-P-C4' energy: -102.969 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -107.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1179.153377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.153377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.153377 (E_RNA) where: Base-Base interactions energy: -774.309 where: short stacking energy: -350.210 Base-Backbone interact. energy: 1.358 local terms energy: -406.202678 where: bonds (distance) C4'-P energy: -79.701 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -80.019 flat angles P-C4'-P energy: -58.087 tors. eta vs tors. theta energy: -95.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1057.936694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.936694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.936694 (E_RNA) where: Base-Base interactions energy: -666.283 where: short stacking energy: -326.283 Base-Backbone interact. energy: -0.212 local terms energy: -391.441440 where: bonds (distance) C4'-P energy: -86.415 bonds (distance) P-C4' energy: -82.658 flat angles C4'-P-C4' energy: -82.450 flat angles P-C4'-P energy: -63.819 tors. eta vs tors. theta energy: -76.099 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: 140 Temperature: 1.150000 Total energy: -813.278558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.278558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.278558 (E_RNA) where: Base-Base interactions energy: -450.290 where: short stacking energy: -230.988 Base-Backbone interact. energy: -2.766 local terms energy: -360.222574 where: bonds (distance) C4'-P energy: -77.466 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -86.874 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -41.600 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: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -759.828385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.828385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.828385 (E_RNA) where: Base-Base interactions energy: -422.327 where: short stacking energy: -231.387 Base-Backbone interact. energy: 4.256 local terms energy: -341.757131 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -72.581 flat angles C4'-P-C4' energy: -88.940 flat angles P-C4'-P energy: -52.418 tors. eta vs tors. theta energy: -48.381 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: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -619.061130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.061130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.061130 (E_RNA) where: Base-Base interactions energy: -327.967 where: short stacking energy: -188.416 Base-Backbone interact. energy: 1.031 local terms energy: -292.124728 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -85.279 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -42.565 tors. eta vs tors. theta energy: -23.045 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: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -504.130109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.130109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.130109 (E_RNA) where: Base-Base interactions energy: -222.256 where: short stacking energy: -160.853 Base-Backbone interact. energy: -1.546 local terms energy: -280.327935 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -73.815 flat angles C4'-P-C4' energy: -75.310 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: 0.494 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: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -346.806551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.806551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.806551 (E_RNA) where: Base-Base interactions energy: -115.758 where: short stacking energy: -86.036 Base-Backbone interact. energy: 3.378 local terms energy: -234.426474 where: bonds (distance) C4'-P energy: -79.798 bonds (distance) P-C4' energy: -80.484 flat angles C4'-P-C4' energy: -49.804 flat angles P-C4'-P energy: -61.914 tors. eta vs tors. theta energy: 37.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1479.921287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.921287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.921287 (E_RNA) where: Base-Base interactions energy: -978.470 where: short stacking energy: -451.082 Base-Backbone interact. energy: -2.267 local terms energy: -499.184424 where: bonds (distance) C4'-P energy: -90.280 bonds (distance) P-C4' energy: -96.416 flat angles C4'-P-C4' energy: -101.219 flat angles P-C4'-P energy: -73.777 tors. eta vs tors. theta energy: -137.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1343.804847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.804847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.804847 (E_RNA) where: Base-Base interactions energy: -869.832 where: short stacking energy: -431.084 Base-Backbone interact. energy: 0.477 local terms energy: -474.449685 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -104.238 flat angles C4'-P-C4' energy: -97.964 flat angles P-C4'-P energy: -70.686 tors. eta vs tors. theta energy: -115.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1275.361034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.361034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.361034 (E_RNA) where: Base-Base interactions energy: -813.635 where: short stacking energy: -400.010 Base-Backbone interact. energy: -1.655 local terms energy: -460.071537 where: bonds (distance) C4'-P energy: -91.319 bonds (distance) P-C4' energy: -101.164 flat angles C4'-P-C4' energy: -91.270 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -108.465 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: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1211.828369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.828369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.828369 (E_RNA) where: Base-Base interactions energy: -751.327 where: short stacking energy: -358.171 Base-Backbone interact. energy: -3.373 local terms energy: -457.128343 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -92.009 flat angles C4'-P-C4' energy: -108.292 flat angles P-C4'-P energy: -65.358 tors. eta vs tors. theta energy: -99.980 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: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1066.040743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.040743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.040743 (E_RNA) where: Base-Base interactions energy: -666.181 where: short stacking energy: -326.345 Base-Backbone interact. energy: -1.110 local terms energy: -398.749260 where: bonds (distance) C4'-P energy: -83.450 bonds (distance) P-C4' energy: -88.248 flat angles C4'-P-C4' energy: -95.420 flat angles P-C4'-P energy: -53.180 tors. eta vs tors. theta energy: -78.452 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: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -815.339737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.339737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.339737 (E_RNA) where: Base-Base interactions energy: -433.828 where: short stacking energy: -263.771 Base-Backbone interact. energy: 0.237 local terms energy: -381.748778 where: bonds (distance) C4'-P energy: -89.337 bonds (distance) P-C4' energy: -96.478 flat angles C4'-P-C4' energy: -81.378 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -57.714 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: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -816.875456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.875456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.875456 (E_RNA) where: Base-Base interactions energy: -507.302 where: short stacking energy: -257.237 Base-Backbone interact. energy: -0.350 local terms energy: -309.223591 where: bonds (distance) C4'-P energy: -53.842 bonds (distance) P-C4' energy: -81.445 flat angles C4'-P-C4' energy: -80.762 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -34.422 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: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -577.044414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.044414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.044414 (E_RNA) where: Base-Base interactions energy: -284.832 where: short stacking energy: -173.485 Base-Backbone interact. energy: 1.712 local terms energy: -293.923957 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -78.175 flat angles C4'-P-C4' energy: -82.898 flat angles P-C4'-P energy: -35.092 tors. eta vs tors. theta energy: -16.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -550.815695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.815695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.815695 (E_RNA) where: Base-Base interactions energy: -289.096 where: short stacking energy: -156.228 Base-Backbone interact. energy: 5.774 local terms energy: -267.493246 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -81.692 flat angles C4'-P-C4' energy: -80.461 flat angles P-C4'-P energy: -32.080 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -368.192677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.192677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.192677 (E_RNA) where: Base-Base interactions energy: -105.593 where: short stacking energy: -96.128 Base-Backbone interact. energy: 2.733 local terms energy: -265.332367 where: bonds (distance) C4'-P energy: -74.263 bonds (distance) P-C4' energy: -84.081 flat angles C4'-P-C4' energy: -65.876 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: 18.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1500.330824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.330824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.330824 (E_RNA) where: Base-Base interactions energy: -1014.170 where: short stacking energy: -461.978 Base-Backbone interact. energy: -2.566 local terms energy: -483.594899 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -95.031 flat angles C4'-P-C4' energy: -104.907 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -131.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1311.193277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.193277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.193277 (E_RNA) where: Base-Base interactions energy: -842.739 where: short stacking energy: -383.078 Base-Backbone interact. energy: -2.730 local terms energy: -465.724176 where: bonds (distance) C4'-P energy: -97.316 bonds (distance) P-C4' energy: -88.504 flat angles C4'-P-C4' energy: -103.265 flat angles P-C4'-P energy: -60.429 tors. eta vs tors. theta energy: -116.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1262.410283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.410283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.410283 (E_RNA) where: Base-Base interactions energy: -806.024 where: short stacking energy: -372.858 Base-Backbone interact. energy: 0.859 local terms energy: -457.244936 where: bonds (distance) C4'-P energy: -93.158 bonds (distance) P-C4' energy: -90.380 flat angles C4'-P-C4' energy: -103.191 flat angles P-C4'-P energy: -73.696 tors. eta vs tors. theta energy: -96.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1198.225292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.225292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.225292 (E_RNA) where: Base-Base interactions energy: -782.064 where: short stacking energy: -371.273 Base-Backbone interact. energy: -0.523 local terms energy: -415.638743 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -73.118 flat angles C4'-P-C4' energy: -96.417 flat angles P-C4'-P energy: -62.114 tors. eta vs tors. theta energy: -95.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1035.573355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.573355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.573355 (E_RNA) where: Base-Base interactions energy: -646.994 where: short stacking energy: -321.584 Base-Backbone interact. energy: -3.011 local terms energy: -385.568969 where: bonds (distance) C4'-P energy: -87.435 bonds (distance) P-C4' energy: -89.792 flat angles C4'-P-C4' energy: -89.751 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -70.696 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: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -802.255871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.255871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.255871 (E_RNA) where: Base-Base interactions energy: -435.467 where: short stacking energy: -239.587 Base-Backbone interact. energy: -1.455 local terms energy: -365.333582 where: bonds (distance) C4'-P energy: -88.605 bonds (distance) P-C4' energy: -84.728 flat angles C4'-P-C4' energy: -86.240 flat angles P-C4'-P energy: -55.847 tors. eta vs tors. theta energy: -49.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -822.321410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.321410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.321410 (E_RNA) where: Base-Base interactions energy: -490.113 where: short stacking energy: -264.924 Base-Backbone interact. energy: -1.884 local terms energy: -330.324416 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -67.539 flat angles C4'-P-C4' energy: -85.162 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -54.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -569.188698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.188698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.188698 (E_RNA) where: Base-Base interactions energy: -285.387 where: short stacking energy: -177.993 Base-Backbone interact. energy: 0.419 local terms energy: -284.220983 where: bonds (distance) C4'-P energy: -77.548 bonds (distance) P-C4' energy: -77.264 flat angles C4'-P-C4' energy: -72.769 flat angles P-C4'-P energy: -51.864 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -568.521809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.521809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.521809 (E_RNA) where: Base-Base interactions energy: -254.153 where: short stacking energy: -155.527 Base-Backbone interact. energy: -0.063 local terms energy: -314.305862 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -88.602 flat angles C4'-P-C4' energy: -68.072 flat angles P-C4'-P energy: -50.784 tors. eta vs tors. theta energy: -19.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -368.682372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.682372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.682372 (E_RNA) where: Base-Base interactions energy: -125.006 where: short stacking energy: -111.774 Base-Backbone interact. energy: -2.664 local terms energy: -241.011957 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -76.193 flat angles C4'-P-C4' energy: -70.476 flat angles P-C4'-P energy: -31.016 tors. eta vs tors. theta energy: 10.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1488.534373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.534373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.534373 (E_RNA) where: Base-Base interactions energy: -991.172 where: short stacking energy: -436.722 Base-Backbone interact. energy: -0.709 local terms energy: -496.652599 where: bonds (distance) C4'-P energy: -101.712 bonds (distance) P-C4' energy: -98.008 flat angles C4'-P-C4' energy: -101.675 flat angles P-C4'-P energy: -74.195 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: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1364.687323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.687323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.687323 (E_RNA) where: Base-Base interactions energy: -902.093 where: short stacking energy: -441.616 Base-Backbone interact. energy: -1.252 local terms energy: -461.342038 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -90.550 flat angles C4'-P-C4' energy: -105.821 flat angles P-C4'-P energy: -69.251 tors. eta vs tors. theta energy: -114.552 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: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1288.583414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.583414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.583414 (E_RNA) where: Base-Base interactions energy: -824.593 where: short stacking energy: -391.034 Base-Backbone interact. energy: -1.444 local terms energy: -462.546874 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -103.455 flat angles C4'-P-C4' energy: -106.606 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -109.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1171.743728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.743728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.743728 (E_RNA) where: Base-Base interactions energy: -736.613 where: short stacking energy: -347.187 Base-Backbone interact. energy: 0.681 local terms energy: -435.811759 where: bonds (distance) C4'-P energy: -106.359 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -88.897 flat angles P-C4'-P energy: -65.428 tors. eta vs tors. theta energy: -91.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1074.546780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.546780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.546780 (E_RNA) where: Base-Base interactions energy: -651.563 where: short stacking energy: -319.361 Base-Backbone interact. energy: -1.268 local terms energy: -421.715602 where: bonds (distance) C4'-P energy: -85.152 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -99.701 flat angles P-C4'-P energy: -56.632 tors. eta vs tors. theta energy: -83.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -818.505791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.505791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.505791 (E_RNA) where: Base-Base interactions energy: -458.729 where: short stacking energy: -257.409 Base-Backbone interact. energy: -1.404 local terms energy: -358.372758 where: bonds (distance) C4'-P energy: -93.668 bonds (distance) P-C4' energy: -81.234 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: -45.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -772.441126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.441126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.441126 (E_RNA) where: Base-Base interactions energy: -449.771 where: short stacking energy: -222.611 Base-Backbone interact. energy: -1.826 local terms energy: -320.843724 where: bonds (distance) C4'-P energy: -70.038 bonds (distance) P-C4' energy: -91.951 flat angles C4'-P-C4' energy: -86.726 flat angles P-C4'-P energy: -35.383 tors. eta vs tors. theta energy: -36.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -545.680366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.680366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.680366 (E_RNA) where: Base-Base interactions energy: -288.320 where: short stacking energy: -159.539 Base-Backbone interact. energy: -0.806 local terms energy: -256.554733 where: bonds (distance) C4'-P energy: -82.163 bonds (distance) P-C4' energy: -77.685 flat angles C4'-P-C4' energy: -61.285 flat angles P-C4'-P energy: -38.755 tors. eta vs tors. theta energy: 3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -520.883913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.883913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.883913 (E_RNA) where: Base-Base interactions energy: -237.828 where: short stacking energy: -146.178 Base-Backbone interact. energy: -1.119 local terms energy: -281.936895 where: bonds (distance) C4'-P energy: -89.669 bonds (distance) P-C4' energy: -71.923 flat angles C4'-P-C4' energy: -84.740 flat angles P-C4'-P energy: -39.397 tors. eta vs tors. theta energy: 3.792 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: 10, replica: 7 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -362.808245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.808245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.808245 (E_RNA) where: Base-Base interactions energy: -117.076 where: short stacking energy: -101.614 Base-Backbone interact. energy: -0.568 local terms energy: -245.164576 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -88.167 flat angles C4'-P-C4' energy: -63.386 flat angles P-C4'-P energy: -32.875 tors. eta vs tors. theta energy: 17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1460.911762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.911762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.911762 (E_RNA) where: Base-Base interactions energy: -988.273 where: short stacking energy: -429.935 Base-Backbone interact. energy: -1.220 local terms energy: -471.418750 where: bonds (distance) C4'-P energy: -91.888 bonds (distance) P-C4' energy: -93.866 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -65.849 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1374.578291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.578291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.578291 (E_RNA) where: Base-Base interactions energy: -893.558 where: short stacking energy: -429.587 Base-Backbone interact. energy: 0.939 local terms energy: -481.958941 where: bonds (distance) C4'-P energy: -93.890 bonds (distance) P-C4' energy: -101.682 flat angles C4'-P-C4' energy: -95.111 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -123.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1288.006438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.006438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.006438 (E_RNA) where: Base-Base interactions energy: -835.902 where: short stacking energy: -413.301 Base-Backbone interact. energy: 0.763 local terms energy: -452.867246 where: bonds (distance) C4'-P energy: -91.919 bonds (distance) P-C4' energy: -88.979 flat angles C4'-P-C4' energy: -88.509 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: -111.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1196.946059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.946059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.946059 (E_RNA) where: Base-Base interactions energy: -772.709 where: short stacking energy: -367.762 Base-Backbone interact. energy: 2.658 local terms energy: -426.895644 where: bonds (distance) C4'-P energy: -82.687 bonds (distance) P-C4' energy: -86.197 flat angles C4'-P-C4' energy: -92.335 flat angles P-C4'-P energy: -61.412 tors. eta vs tors. theta energy: -104.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1082.455798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.455798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.455798 (E_RNA) where: Base-Base interactions energy: -688.437 where: short stacking energy: -352.340 Base-Backbone interact. energy: -0.346 local terms energy: -393.672271 where: bonds (distance) C4'-P energy: -89.188 bonds (distance) P-C4' energy: -82.155 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -78.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -874.977077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.977077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.977077 (E_RNA) where: Base-Base interactions energy: -519.736 where: short stacking energy: -273.089 Base-Backbone interact. energy: -1.004 local terms energy: -354.237517 where: bonds (distance) C4'-P energy: -69.909 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -88.184 flat angles P-C4'-P energy: -53.360 tors. eta vs tors. theta energy: -53.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -776.599396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.599396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.599396 (E_RNA) where: Base-Base interactions energy: -436.981 where: short stacking energy: -207.142 Base-Backbone interact. energy: -1.228 local terms energy: -338.390990 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -91.725 flat angles C4'-P-C4' energy: -81.658 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -35.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -604.819294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.819294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.819294 (E_RNA) where: Base-Base interactions energy: -308.671 where: short stacking energy: -176.889 Base-Backbone interact. energy: 2.050 local terms energy: -298.197500 where: bonds (distance) C4'-P energy: -72.295 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -68.265 flat angles P-C4'-P energy: -47.381 tors. eta vs tors. theta energy: -18.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -497.847359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.847359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.847359 (E_RNA) where: Base-Base interactions energy: -212.792 where: short stacking energy: -120.975 Base-Backbone interact. energy: -1.792 local terms energy: -283.263977 where: bonds (distance) C4'-P energy: -67.684 bonds (distance) P-C4' energy: -85.994 flat angles C4'-P-C4' energy: -87.591 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: 9.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -373.579805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.579805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.579805 (E_RNA) where: Base-Base interactions energy: -146.291 where: short stacking energy: -108.413 Base-Backbone interact. energy: 3.296 local terms energy: -230.584717 where: bonds (distance) C4'-P energy: -78.337 bonds (distance) P-C4' energy: -76.854 flat angles C4'-P-C4' energy: -47.705 flat angles P-C4'-P energy: -43.119 tors. eta vs tors. theta energy: 15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1489.864864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.864864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.864864 (E_RNA) where: Base-Base interactions energy: -995.029 where: short stacking energy: -437.273 Base-Backbone interact. energy: -2.169 local terms energy: -492.666226 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -95.413 flat angles C4'-P-C4' energy: -102.344 flat angles P-C4'-P energy: -67.497 tors. eta vs tors. theta energy: -124.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1368.199084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.199084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.199084 (E_RNA) where: Base-Base interactions energy: -870.075 where: short stacking energy: -414.706 Base-Backbone interact. energy: -0.713 local terms energy: -497.411682 where: bonds (distance) C4'-P energy: -100.019 bonds (distance) P-C4' energy: -106.263 flat angles C4'-P-C4' energy: -94.445 flat angles P-C4'-P energy: -73.403 tors. eta vs tors. theta energy: -123.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1288.000503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.000503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.000503 (E_RNA) where: Base-Base interactions energy: -845.908 where: short stacking energy: -367.741 Base-Backbone interact. energy: -5.943 local terms energy: -436.149112 where: bonds (distance) C4'-P energy: -90.107 bonds (distance) P-C4' energy: -92.503 flat angles C4'-P-C4' energy: -92.135 flat angles P-C4'-P energy: -57.932 tors. eta vs tors. theta energy: -103.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1174.827384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.827384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.827384 (E_RNA) where: Base-Base interactions energy: -769.170 where: short stacking energy: -350.265 Base-Backbone interact. energy: -0.776 local terms energy: -404.881293 where: bonds (distance) C4'-P energy: -77.237 bonds (distance) P-C4' energy: -94.115 flat angles C4'-P-C4' energy: -89.512 flat angles P-C4'-P energy: -63.728 tors. eta vs tors. theta energy: -80.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1130.889252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.889252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.889252 (E_RNA) where: Base-Base interactions energy: -692.192 where: short stacking energy: -334.090 Base-Backbone interact. energy: -0.144 local terms energy: -438.553857 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -92.428 flat angles C4'-P-C4' energy: -85.477 flat angles P-C4'-P energy: -63.613 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: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -885.327578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.327578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.327578 (E_RNA) where: Base-Base interactions energy: -541.211 where: short stacking energy: -255.264 Base-Backbone interact. energy: -2.168 local terms energy: -341.948941 where: bonds (distance) C4'-P energy: -83.669 bonds (distance) P-C4' energy: -84.922 flat angles C4'-P-C4' energy: -74.328 flat angles P-C4'-P energy: -50.169 tors. eta vs tors. theta energy: -48.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -790.907976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.907976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.907976 (E_RNA) where: Base-Base interactions energy: -455.019 where: short stacking energy: -217.766 Base-Backbone interact. energy: 1.267 local terms energy: -337.155518 where: bonds (distance) C4'-P energy: -81.620 bonds (distance) P-C4' energy: -87.519 flat angles C4'-P-C4' energy: -83.511 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -27.409 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: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -644.389449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.389449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.389449 (E_RNA) where: Base-Base interactions energy: -365.808 where: short stacking energy: -203.017 Base-Backbone interact. energy: -3.009 local terms energy: -275.572289 where: bonds (distance) C4'-P energy: -89.569 bonds (distance) P-C4' energy: -83.340 flat angles C4'-P-C4' energy: -70.666 flat angles P-C4'-P energy: -13.906 tors. eta vs tors. theta energy: -18.091 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: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -509.957944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.957944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.957944 (E_RNA) where: Base-Base interactions energy: -217.277 where: short stacking energy: -132.816 Base-Backbone interact. energy: 1.010 local terms energy: -293.691190 where: bonds (distance) C4'-P energy: -74.856 bonds (distance) P-C4' energy: -85.925 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -391.827955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.827955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.827955 (E_RNA) where: Base-Base interactions energy: -172.316 where: short stacking energy: -119.759 Base-Backbone interact. energy: -0.339 local terms energy: -219.173256 where: bonds (distance) C4'-P energy: -74.270 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -63.634 flat angles P-C4'-P energy: -30.003 tors. eta vs tors. theta energy: 9.525 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: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1489.285759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.285759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.285759 (E_RNA) where: Base-Base interactions energy: -1003.208 where: short stacking energy: -416.677 Base-Backbone interact. energy: -3.494 local terms energy: -482.583274 where: bonds (distance) C4'-P energy: -95.859 bonds (distance) P-C4' energy: -99.246 flat angles C4'-P-C4' energy: -98.765 flat angles P-C4'-P energy: -72.498 tors. eta vs tors. theta energy: -116.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1349.887290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.887290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.887290 (E_RNA) where: Base-Base interactions energy: -882.096 where: short stacking energy: -425.350 Base-Backbone interact. energy: -1.327 local terms energy: -466.464461 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -96.299 flat angles C4'-P-C4' energy: -102.448 flat angles P-C4'-P energy: -65.134 tors. eta vs tors. theta energy: -129.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1288.019053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.019053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.019053 (E_RNA) where: Base-Base interactions energy: -839.830 where: short stacking energy: -399.690 Base-Backbone interact. energy: -3.389 local terms energy: -444.800124 where: bonds (distance) C4'-P energy: -88.982 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -100.654 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -108.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1162.461619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.461619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.461619 (E_RNA) where: Base-Base interactions energy: -743.355 where: short stacking energy: -348.451 Base-Backbone interact. energy: -1.767 local terms energy: -417.340066 where: bonds (distance) C4'-P energy: -86.652 bonds (distance) P-C4' energy: -96.649 flat angles C4'-P-C4' energy: -96.539 flat angles P-C4'-P energy: -42.749 tors. eta vs tors. theta energy: -94.751 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: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1129.183472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.183472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.183472 (E_RNA) where: Base-Base interactions energy: -732.057 where: short stacking energy: -334.424 Base-Backbone interact. energy: -1.671 local terms energy: -395.456288 where: bonds (distance) C4'-P energy: -85.841 bonds (distance) P-C4' energy: -81.342 flat angles C4'-P-C4' energy: -87.552 flat angles P-C4'-P energy: -63.554 tors. eta vs tors. theta energy: -77.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -954.072662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.072662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.072662 (E_RNA) where: Base-Base interactions energy: -613.882 where: short stacking energy: -277.663 Base-Backbone interact. energy: -3.060 local terms energy: -337.131168 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -99.035 flat angles C4'-P-C4' energy: -81.072 flat angles P-C4'-P energy: -36.573 tors. eta vs tors. theta energy: -53.225 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: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -803.317485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.317485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.317485 (E_RNA) where: Base-Base interactions energy: -461.518 where: short stacking energy: -249.322 Base-Backbone interact. energy: 4.342 local terms energy: -346.140676 where: bonds (distance) C4'-P energy: -72.047 bonds (distance) P-C4' energy: -86.177 flat angles C4'-P-C4' energy: -96.413 flat angles P-C4'-P energy: -49.275 tors. eta vs tors. theta energy: -42.230 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: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -629.039071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.039071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.039071 (E_RNA) where: Base-Base interactions energy: -331.174 where: short stacking energy: -192.690 Base-Backbone interact. energy: -1.413 local terms energy: -296.452776 where: bonds (distance) C4'-P energy: -91.103 bonds (distance) P-C4' energy: -76.105 flat angles C4'-P-C4' energy: -78.134 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: -10.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -582.374918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.374918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.374918 (E_RNA) where: Base-Base interactions energy: -284.882 where: short stacking energy: -153.703 Base-Backbone interact. energy: -1.924 local terms energy: -295.569309 where: bonds (distance) C4'-P energy: -70.702 bonds (distance) P-C4' energy: -88.388 flat angles C4'-P-C4' energy: -89.308 flat angles P-C4'-P energy: -44.199 tors. eta vs tors. theta energy: -2.972 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: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -375.847187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.847187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.847187 (E_RNA) where: Base-Base interactions energy: -140.219 where: short stacking energy: -125.976 Base-Backbone interact. energy: -0.766 local terms energy: -234.862480 where: bonds (distance) C4'-P energy: -79.548 bonds (distance) P-C4' energy: -74.585 flat angles C4'-P-C4' energy: -54.256 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: 14.307 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: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1504.196318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.196318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.196318 (E_RNA) where: Base-Base interactions energy: -1018.441 where: short stacking energy: -450.165 Base-Backbone interact. energy: 0.285 local terms energy: -486.041158 where: bonds (distance) C4'-P energy: -81.158 bonds (distance) P-C4' energy: -100.460 flat angles C4'-P-C4' energy: -106.806 flat angles P-C4'-P energy: -74.884 tors. eta vs tors. theta energy: -122.733 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1344.467955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.467955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.467955 (E_RNA) where: Base-Base interactions energy: -877.683 where: short stacking energy: -429.252 Base-Backbone interact. energy: -1.078 local terms energy: -465.706743 where: bonds (distance) C4'-P energy: -89.988 bonds (distance) P-C4' energy: -93.198 flat angles C4'-P-C4' energy: -94.744 flat angles P-C4'-P energy: -65.335 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: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1287.226367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.226367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.226367 (E_RNA) where: Base-Base interactions energy: -858.827 where: short stacking energy: -387.019 Base-Backbone interact. energy: -4.319 local terms energy: -424.080196 where: bonds (distance) C4'-P energy: -94.644 bonds (distance) P-C4' energy: -85.186 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -97.084 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: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1191.361062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.361062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.361062 (E_RNA) where: Base-Base interactions energy: -765.448 where: short stacking energy: -375.770 Base-Backbone interact. energy: -0.793 local terms energy: -425.119346 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -90.530 flat angles C4'-P-C4' energy: -92.668 flat angles P-C4'-P energy: -55.318 tors. eta vs tors. theta energy: -107.095 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: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1160.618740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.618740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.618740 (E_RNA) where: Base-Base interactions energy: -734.663 where: short stacking energy: -335.933 Base-Backbone interact. energy: -1.821 local terms energy: -424.134564 where: bonds (distance) C4'-P energy: -97.764 bonds (distance) P-C4' energy: -82.366 flat angles C4'-P-C4' energy: -95.398 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -96.365 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: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -985.485639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.485639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.485639 (E_RNA) where: Base-Base interactions energy: -598.028 where: short stacking energy: -265.756 Base-Backbone interact. energy: -0.280 local terms energy: -387.177074 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -92.629 flat angles C4'-P-C4' energy: -91.423 flat angles P-C4'-P energy: -49.424 tors. eta vs tors. theta energy: -63.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -795.680222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.680222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.680222 (E_RNA) where: Base-Base interactions energy: -452.548 where: short stacking energy: -219.923 Base-Backbone interact. energy: 8.740 local terms energy: -351.872319 where: bonds (distance) C4'-P energy: -75.076 bonds (distance) P-C4' energy: -95.727 flat angles C4'-P-C4' energy: -83.083 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -40.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -691.237723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.237723 (E_RNA) where: Base-Base interactions energy: -375.122 where: short stacking energy: -192.357 Base-Backbone interact. energy: -1.867 local terms energy: -314.248411 where: bonds (distance) C4'-P energy: -84.047 bonds (distance) P-C4' energy: -87.934 flat angles C4'-P-C4' energy: -62.449 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: -30.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -522.802680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.802680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.802680 (E_RNA) where: Base-Base interactions energy: -232.220 where: short stacking energy: -137.571 Base-Backbone interact. energy: 11.566 local terms energy: -302.149174 where: bonds (distance) C4'-P energy: -90.509 bonds (distance) P-C4' energy: -79.807 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -40.570 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -459.720780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.720780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.720780 (E_RNA) where: Base-Base interactions energy: -219.484 where: short stacking energy: -132.273 Base-Backbone interact. energy: -0.415 local terms energy: -239.822218 where: bonds (distance) C4'-P energy: -79.646 bonds (distance) P-C4' energy: -79.472 flat angles C4'-P-C4' energy: -58.650 flat angles P-C4'-P energy: -31.414 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: 1, replica: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1501.200547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.200547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.200547 (E_RNA) where: Base-Base interactions energy: -1013.603 where: short stacking energy: -443.424 Base-Backbone interact. energy: 0.203 local terms energy: -487.800976 where: bonds (distance) C4'-P energy: -94.675 bonds (distance) P-C4' energy: -85.671 flat angles C4'-P-C4' energy: -107.315 flat angles P-C4'-P energy: -71.099 tors. eta vs tors. theta energy: -129.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1399.498604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.498604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.498604 (E_RNA) where: Base-Base interactions energy: -906.090 where: short stacking energy: -444.316 Base-Backbone interact. energy: -0.884 local terms energy: -492.524552 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -102.465 flat angles C4'-P-C4' energy: -100.126 flat angles P-C4'-P energy: -72.289 tors. eta vs tors. theta energy: -129.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1281.416791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.416791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.416791 (E_RNA) where: Base-Base interactions energy: -840.246 where: short stacking energy: -406.619 Base-Backbone interact. energy: 0.311 local terms energy: -441.481561 where: bonds (distance) C4'-P energy: -87.521 bonds (distance) P-C4' energy: -90.446 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -57.821 tors. eta vs tors. theta energy: -102.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1149.256782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.256782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.256782 (E_RNA) where: Base-Base interactions energy: -723.785 where: short stacking energy: -359.236 Base-Backbone interact. energy: -0.024 local terms energy: -425.448648 where: bonds (distance) C4'-P energy: -85.040 bonds (distance) P-C4' energy: -100.237 flat angles C4'-P-C4' energy: -78.768 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -98.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1168.169072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.169072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.169072 (E_RNA) where: Base-Base interactions energy: -730.889 where: short stacking energy: -330.191 Base-Backbone interact. energy: -3.759 local terms energy: -433.521410 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -72.284 tors. eta vs tors. theta energy: -94.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1035.250460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.250460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.250460 (E_RNA) where: Base-Base interactions energy: -676.915 where: short stacking energy: -309.293 Base-Backbone interact. energy: -1.693 local terms energy: -356.642338 where: bonds (distance) C4'-P energy: -76.016 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -50.128 tors. eta vs tors. theta energy: -77.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -795.380807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.380807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.380807 (E_RNA) where: Base-Base interactions energy: -462.213 where: short stacking energy: -241.593 Base-Backbone interact. energy: -1.308 local terms energy: -331.859572 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -89.075 flat angles P-C4'-P energy: -59.642 tors. eta vs tors. theta energy: -32.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -638.991042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.991042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.991042 (E_RNA) where: Base-Base interactions energy: -325.971 where: short stacking energy: -189.001 Base-Backbone interact. energy: -0.309 local terms energy: -312.710638 where: bonds (distance) C4'-P energy: -72.967 bonds (distance) P-C4' energy: -87.959 flat angles C4'-P-C4' energy: -76.153 flat angles P-C4'-P energy: -43.512 tors. eta vs tors. theta energy: -32.121 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: 4 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -559.496635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.496635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.496635 (E_RNA) where: Base-Base interactions energy: -294.328 where: short stacking energy: -164.016 Base-Backbone interact. energy: 3.703 local terms energy: -268.871328 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -425.022973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.022973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.022973 (E_RNA) where: Base-Base interactions energy: -195.014 where: short stacking energy: -105.040 Base-Backbone interact. energy: -0.672 local terms energy: -229.336558 where: bonds (distance) C4'-P energy: -75.682 bonds (distance) P-C4' energy: -83.569 flat angles C4'-P-C4' energy: -71.645 flat angles P-C4'-P energy: -28.142 tors. eta vs tors. theta energy: 29.701 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: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1495.667473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.667473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.667473 (E_RNA) where: Base-Base interactions energy: -1007.337 where: short stacking energy: -445.623 Base-Backbone interact. energy: -0.592 local terms energy: -487.737996 where: bonds (distance) C4'-P energy: -94.220 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -100.813 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -126.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1409.591632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.591632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.591632 (E_RNA) where: Base-Base interactions energy: -916.617 where: short stacking energy: -435.797 Base-Backbone interact. energy: -2.584 local terms energy: -490.390792 where: bonds (distance) C4'-P energy: -88.707 bonds (distance) P-C4' energy: -101.541 flat angles C4'-P-C4' energy: -106.054 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -121.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1254.587983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.587983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.587983 (E_RNA) where: Base-Base interactions energy: -820.310 where: short stacking energy: -364.205 Base-Backbone interact. energy: 0.017 local terms energy: -434.295492 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -93.617 flat angles C4'-P-C4' energy: -103.111 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -90.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1209.098712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.098712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.098712 (E_RNA) where: Base-Base interactions energy: -750.265 where: short stacking energy: -360.798 Base-Backbone interact. energy: -3.121 local terms energy: -455.713090 where: bonds (distance) C4'-P energy: -80.487 bonds (distance) P-C4' energy: -100.611 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -55.309 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: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1090.355301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.355301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.355301 (E_RNA) where: Base-Base interactions energy: -677.266 where: short stacking energy: -323.403 Base-Backbone interact. energy: 0.689 local terms energy: -413.777804 where: bonds (distance) C4'-P energy: -91.133 bonds (distance) P-C4' energy: -88.113 flat angles C4'-P-C4' energy: -92.023 flat angles P-C4'-P energy: -56.891 tors. eta vs tors. theta energy: -85.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1040.386218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.386218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.386218 (E_RNA) where: Base-Base interactions energy: -677.388 where: short stacking energy: -300.021 Base-Backbone interact. energy: 1.028 local terms energy: -364.025887 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -81.718 flat angles C4'-P-C4' energy: -82.301 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -64.667 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: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -831.751573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.751573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.751573 (E_RNA) where: Base-Base interactions energy: -472.561 where: short stacking energy: -231.687 Base-Backbone interact. energy: -0.615 local terms energy: -358.575487 where: bonds (distance) C4'-P energy: -84.925 bonds (distance) P-C4' energy: -90.520 flat angles C4'-P-C4' energy: -88.537 flat angles P-C4'-P energy: -63.427 tors. eta vs tors. theta energy: -31.166 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: 149 Temperature: 1.250000 Total energy: -589.099047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.099047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.099047 (E_RNA) where: Base-Base interactions energy: -279.979 where: short stacking energy: -157.926 Base-Backbone interact. energy: 1.556 local terms energy: -310.676129 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -102.576 flat angles C4'-P-C4' energy: -77.585 flat angles P-C4'-P energy: -60.715 tors. eta vs tors. theta energy: 2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -510.370885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.370885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.370885 (E_RNA) where: Base-Base interactions energy: -237.533 where: short stacking energy: -138.834 Base-Backbone interact. energy: -0.620 local terms energy: -272.217816 where: bonds (distance) C4'-P energy: -58.925 bonds (distance) P-C4' energy: -86.075 flat angles C4'-P-C4' energy: -64.766 flat angles P-C4'-P energy: -56.354 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -377.322565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.322565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.322565 (E_RNA) where: Base-Base interactions energy: -122.850 where: short stacking energy: -105.205 Base-Backbone interact. energy: -0.716 local terms energy: -253.756375 where: bonds (distance) C4'-P energy: -85.811 bonds (distance) P-C4' energy: -80.842 flat angles C4'-P-C4' energy: -56.767 flat angles P-C4'-P energy: -50.861 tors. eta vs tors. theta energy: 20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1498.437175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.437175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.437175 (E_RNA) where: Base-Base interactions energy: -1022.320 where: short stacking energy: -452.346 Base-Backbone interact. energy: -0.984 local terms energy: -475.133254 where: bonds (distance) C4'-P energy: -95.147 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -103.913 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -116.417 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: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1393.750782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.750782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.750782 (E_RNA) where: Base-Base interactions energy: -904.874 where: short stacking energy: -448.430 Base-Backbone interact. energy: -0.567 local terms energy: -488.309019 where: bonds (distance) C4'-P energy: -97.933 bonds (distance) P-C4' energy: -90.829 flat angles C4'-P-C4' energy: -103.368 flat angles P-C4'-P energy: -59.916 tors. eta vs tors. theta energy: -136.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1268.170733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.170733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.170733 (E_RNA) where: Base-Base interactions energy: -812.058 where: short stacking energy: -385.992 Base-Backbone interact. energy: -0.648 local terms energy: -455.464859 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -99.798 flat angles C4'-P-C4' energy: -104.839 flat angles P-C4'-P energy: -71.176 tors. eta vs tors. theta energy: -99.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1186.023085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.023085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.023085 (E_RNA) where: Base-Base interactions energy: -756.246 where: short stacking energy: -349.312 Base-Backbone interact. energy: -3.167 local terms energy: -426.609515 where: bonds (distance) C4'-P energy: -69.532 bonds (distance) P-C4' energy: -88.853 flat angles C4'-P-C4' energy: -108.357 flat angles P-C4'-P energy: -67.162 tors. eta vs tors. theta energy: -92.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1138.181015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.181015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.181015 (E_RNA) where: Base-Base interactions energy: -719.850 where: short stacking energy: -337.879 Base-Backbone interact. energy: -3.297 local terms energy: -415.034370 where: bonds (distance) C4'-P energy: -82.256 bonds (distance) P-C4' energy: -84.512 flat angles C4'-P-C4' energy: -102.454 flat angles P-C4'-P energy: -62.081 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: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1005.870124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.870124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.870124 (E_RNA) where: Base-Base interactions energy: -621.729 where: short stacking energy: -292.046 Base-Backbone interact. energy: -2.385 local terms energy: -381.756016 where: bonds (distance) C4'-P energy: -85.410 bonds (distance) P-C4' energy: -81.480 flat angles C4'-P-C4' energy: -86.040 flat angles P-C4'-P energy: -59.598 tors. eta vs tors. theta energy: -69.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -796.759184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.759184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.759184 (E_RNA) where: Base-Base interactions energy: -443.374 where: short stacking energy: -204.799 Base-Backbone interact. energy: -3.407 local terms energy: -349.978107 where: bonds (distance) C4'-P energy: -78.086 bonds (distance) P-C4' energy: -96.958 flat angles C4'-P-C4' energy: -90.896 flat angles P-C4'-P energy: -51.239 tors. eta vs tors. theta energy: -32.798 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: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -674.611415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.611415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.611415 (E_RNA) where: Base-Base interactions energy: -375.217 where: short stacking energy: -180.000 Base-Backbone interact. energy: -2.054 local terms energy: -297.340468 where: bonds (distance) C4'-P energy: -77.302 bonds (distance) P-C4' energy: -83.454 flat angles C4'-P-C4' energy: -73.993 flat angles P-C4'-P energy: -47.207 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -501.305436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.305436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.305436 (E_RNA) where: Base-Base interactions energy: -223.276 where: short stacking energy: -151.552 Base-Backbone interact. energy: -1.791 local terms energy: -276.238962 where: bonds (distance) C4'-P energy: -80.236 bonds (distance) P-C4' energy: -81.026 flat angles C4'-P-C4' energy: -68.315 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -3.880 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: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -392.200116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.200116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.200116 (E_RNA) where: Base-Base interactions energy: -138.130 where: short stacking energy: -132.804 Base-Backbone interact. energy: 0.836 local terms energy: -254.905315 where: bonds (distance) C4'-P energy: -48.105 bonds (distance) P-C4' energy: -84.546 flat angles C4'-P-C4' energy: -85.713 flat angles P-C4'-P energy: -36.211 tors. eta vs tors. theta energy: -0.331 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: 151 Temperature: 0.900000 Total energy: -1515.684616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.684616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.684616 (E_RNA) where: Base-Base interactions energy: -1047.983 where: short stacking energy: -449.885 Base-Backbone interact. energy: -3.798 local terms energy: -463.903555 where: bonds (distance) C4'-P energy: -94.655 bonds (distance) P-C4' energy: -92.417 flat angles C4'-P-C4' energy: -101.830 flat angles P-C4'-P energy: -55.462 tors. eta vs tors. theta energy: -119.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1378.261451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.261451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.261451 (E_RNA) where: Base-Base interactions energy: -882.177 where: short stacking energy: -432.382 Base-Backbone interact. energy: -2.631 local terms energy: -493.453890 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -97.666 flat angles C4'-P-C4' energy: -107.590 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: -126.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1279.691428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.691428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.691428 (E_RNA) where: Base-Base interactions energy: -829.790 where: short stacking energy: -385.086 Base-Backbone interact. energy: -0.300 local terms energy: -449.601879 where: bonds (distance) C4'-P energy: -97.979 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -93.763 flat angles P-C4'-P energy: -74.127 tors. eta vs tors. theta energy: -96.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1179.952863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.952863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.952863 (E_RNA) where: Base-Base interactions energy: -772.821 where: short stacking energy: -357.214 Base-Backbone interact. energy: -2.336 local terms energy: -404.796038 where: bonds (distance) C4'-P energy: -84.098 bonds (distance) P-C4' energy: -73.444 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -50.456 tors. eta vs tors. theta energy: -103.113 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: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1118.279034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.279034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.279034 (E_RNA) where: Base-Base interactions energy: -687.433 where: short stacking energy: -348.687 Base-Backbone interact. energy: -0.942 local terms energy: -429.903841 where: bonds (distance) C4'-P energy: -75.520 bonds (distance) P-C4' energy: -92.526 flat angles C4'-P-C4' energy: -93.154 flat angles P-C4'-P energy: -72.257 tors. eta vs tors. theta energy: -96.447 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: 151 Temperature: 1.150000 Total energy: -948.969395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.969395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.969395 (E_RNA) where: Base-Base interactions energy: -584.242 where: short stacking energy: -290.184 Base-Backbone interact. energy: -1.891 local terms energy: -362.836093 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -88.313 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -58.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -822.260926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.260926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.260926 (E_RNA) where: Base-Base interactions energy: -519.289 where: short stacking energy: -250.709 Base-Backbone interact. energy: 4.332 local terms energy: -307.303921 where: bonds (distance) C4'-P energy: -63.308 bonds (distance) P-C4' energy: -78.370 flat angles C4'-P-C4' energy: -65.689 flat angles P-C4'-P energy: -50.922 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -744.459348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.459348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.459348 (E_RNA) where: Base-Base interactions energy: -413.216 where: short stacking energy: -206.183 Base-Backbone interact. energy: -0.408 local terms energy: -330.835577 where: bonds (distance) C4'-P energy: -89.135 bonds (distance) P-C4' energy: -75.741 flat angles C4'-P-C4' energy: -90.468 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -33.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -475.685784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.685784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.685784 (E_RNA) where: Base-Base interactions energy: -214.112 where: short stacking energy: -144.853 Base-Backbone interact. energy: 0.383 local terms energy: -261.956498 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -46.230 flat angles P-C4'-P energy: -49.076 tors. eta vs tors. theta energy: -6.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -398.155366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.155366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.155366 (E_RNA) where: Base-Base interactions energy: -126.833 where: short stacking energy: -118.134 Base-Backbone interact. energy: -0.688 local terms energy: -270.634193 where: bonds (distance) C4'-P energy: -74.617 bonds (distance) P-C4' energy: -86.363 flat angles C4'-P-C4' energy: -64.553 flat angles P-C4'-P energy: -44.245 tors. eta vs tors. theta energy: -0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1516.437510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.437510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.437510 (E_RNA) where: Base-Base interactions energy: -1040.370 where: short stacking energy: -436.662 Base-Backbone interact. energy: 0.415 local terms energy: -476.482408 where: bonds (distance) C4'-P energy: -101.618 bonds (distance) P-C4' energy: -87.927 flat angles C4'-P-C4' energy: -101.274 flat angles P-C4'-P energy: -64.753 tors. eta vs tors. theta energy: -120.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1373.211610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.211610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.211610 (E_RNA) where: Base-Base interactions energy: -874.647 where: short stacking energy: -423.754 Base-Backbone interact. energy: -0.635 local terms energy: -497.929849 where: bonds (distance) C4'-P energy: -100.297 bonds (distance) P-C4' energy: -97.532 flat angles C4'-P-C4' energy: -106.476 flat angles P-C4'-P energy: -73.210 tors. eta vs tors. theta energy: -120.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1287.636030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.636030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.636030 (E_RNA) where: Base-Base interactions energy: -870.410 where: short stacking energy: -392.080 Base-Backbone interact. energy: -2.749 local terms energy: -414.477886 where: bonds (distance) C4'-P energy: -76.165 bonds (distance) P-C4' energy: -92.910 flat angles C4'-P-C4' energy: -97.906 flat angles P-C4'-P energy: -56.993 tors. eta vs tors. theta energy: -90.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1199.070289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.070289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.070289 (E_RNA) where: Base-Base interactions energy: -786.881 where: short stacking energy: -355.957 Base-Backbone interact. energy: -2.778 local terms energy: -409.411782 where: bonds (distance) C4'-P energy: -74.379 bonds (distance) P-C4' energy: -90.557 flat angles C4'-P-C4' energy: -91.788 flat angles P-C4'-P energy: -64.783 tors. eta vs tors. theta energy: -87.905 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: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1039.691133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.691133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.691133 (E_RNA) where: Base-Base interactions energy: -649.486 where: short stacking energy: -315.656 Base-Backbone interact. energy: -3.537 local terms energy: -386.668982 where: bonds (distance) C4'-P energy: -90.796 bonds (distance) P-C4' energy: -74.660 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -81.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -969.540290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.540290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.540290 (E_RNA) where: Base-Base interactions energy: -613.166 where: short stacking energy: -287.704 Base-Backbone interact. energy: -2.149 local terms energy: -354.224754 where: bonds (distance) C4'-P energy: -63.038 bonds (distance) P-C4' energy: -96.012 flat angles C4'-P-C4' energy: -83.275 flat angles P-C4'-P energy: -58.288 tors. eta vs tors. theta energy: -53.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -826.246832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.246832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.246832 (E_RNA) where: Base-Base interactions energy: -503.446 where: short stacking energy: -249.548 Base-Backbone interact. energy: 4.058 local terms energy: -326.858308 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -80.921 flat angles C4'-P-C4' energy: -82.322 flat angles P-C4'-P energy: -54.097 tors. eta vs tors. theta energy: -39.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -734.952611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.952611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.952611 (E_RNA) where: Base-Base interactions energy: -409.091 where: short stacking energy: -212.642 Base-Backbone interact. energy: -0.080 local terms energy: -325.781490 where: bonds (distance) C4'-P energy: -92.455 bonds (distance) P-C4' energy: -76.441 flat angles C4'-P-C4' energy: -73.341 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -30.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -522.242048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.242048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.242048 (E_RNA) where: Base-Base interactions energy: -240.472 where: short stacking energy: -161.041 Base-Backbone interact. energy: 3.717 local terms energy: -285.486308 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -87.304 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -46.842 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: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -368.521926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.521926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.521926 (E_RNA) where: Base-Base interactions energy: -114.158 where: short stacking energy: -91.958 Base-Backbone interact. energy: -2.912 local terms energy: -251.451387 where: bonds (distance) C4'-P energy: -86.560 bonds (distance) P-C4' energy: -68.584 flat angles C4'-P-C4' energy: -70.897 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: 21.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1514.337352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.337352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.337352 (E_RNA) where: Base-Base interactions energy: -1020.588 where: short stacking energy: -431.908 Base-Backbone interact. energy: -4.190 local terms energy: -489.559133 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -106.087 flat angles C4'-P-C4' energy: -102.153 flat angles P-C4'-P energy: -72.847 tors. eta vs tors. theta energy: -117.806 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1370.803678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.803678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.803678 (E_RNA) where: Base-Base interactions energy: -878.745 where: short stacking energy: -428.959 Base-Backbone interact. energy: -0.470 local terms energy: -491.589399 where: bonds (distance) C4'-P energy: -89.979 bonds (distance) P-C4' energy: -95.682 flat angles C4'-P-C4' energy: -104.873 flat angles P-C4'-P energy: -65.692 tors. eta vs tors. theta energy: -135.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1272.806460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.806460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.806460 (E_RNA) where: Base-Base interactions energy: -832.811 where: short stacking energy: -381.709 Base-Backbone interact. energy: -1.782 local terms energy: -438.213257 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -85.610 flat angles C4'-P-C4' energy: -88.856 flat angles P-C4'-P energy: -72.321 tors. eta vs tors. theta energy: -97.848 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: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1169.805302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.805302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.805302 (E_RNA) where: Base-Base interactions energy: -741.002 where: short stacking energy: -327.212 Base-Backbone interact. energy: -3.200 local terms energy: -425.603712 where: bonds (distance) C4'-P energy: -89.791 bonds (distance) P-C4' energy: -95.089 flat angles C4'-P-C4' energy: -100.906 flat angles P-C4'-P energy: -54.764 tors. eta vs tors. theta energy: -85.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1075.187738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.187738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.187738 (E_RNA) where: Base-Base interactions energy: -664.241 where: short stacking energy: -332.652 Base-Backbone interact. energy: -0.642 local terms energy: -410.304858 where: bonds (distance) C4'-P energy: -87.409 bonds (distance) P-C4' energy: -98.255 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -59.069 tors. eta vs tors. theta energy: -74.740 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: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -944.017175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.017175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.017175 (E_RNA) where: Base-Base interactions energy: -587.750 where: short stacking energy: -273.240 Base-Backbone interact. energy: 1.148 local terms energy: -357.415324 where: bonds (distance) C4'-P energy: -80.068 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -99.378 flat angles P-C4'-P energy: -53.576 tors. eta vs tors. theta energy: -53.815 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: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -872.913532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.913532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.913532 (E_RNA) where: Base-Base interactions energy: -532.314 where: short stacking energy: -254.198 Base-Backbone interact. energy: -0.165 local terms energy: -340.433696 where: bonds (distance) C4'-P energy: -75.867 bonds (distance) P-C4' energy: -88.226 flat angles C4'-P-C4' energy: -81.741 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -42.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -737.422632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.422632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.422632 (E_RNA) where: Base-Base interactions energy: -430.378 where: short stacking energy: -219.760 Base-Backbone interact. energy: 2.522 local terms energy: -309.566758 where: bonds (distance) C4'-P energy: -83.470 bonds (distance) P-C4' energy: -72.786 flat angles C4'-P-C4' energy: -77.535 flat angles P-C4'-P energy: -32.750 tors. eta vs tors. theta energy: -43.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -499.209790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.209790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.209790 (E_RNA) where: Base-Base interactions energy: -228.579 where: short stacking energy: -148.763 Base-Backbone interact. energy: 0.596 local terms energy: -271.226553 where: bonds (distance) C4'-P energy: -66.866 bonds (distance) P-C4' energy: -87.928 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -49.199 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -377.500658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.500658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.500658 (E_RNA) where: Base-Base interactions energy: -113.013 where: short stacking energy: -99.489 Base-Backbone interact. energy: 1.235 local terms energy: -265.722724 where: bonds (distance) C4'-P energy: -64.642 bonds (distance) P-C4' energy: -81.715 flat angles C4'-P-C4' energy: -83.900 flat angles P-C4'-P energy: -46.175 tors. eta vs tors. theta energy: 10.709 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: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1516.763073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.763073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.763073 (E_RNA) where: Base-Base interactions energy: -1033.545 where: short stacking energy: -470.283 Base-Backbone interact. energy: -3.929 local terms energy: -479.289218 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -103.967 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -121.458 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: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1379.140237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.140237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.140237 (E_RNA) where: Base-Base interactions energy: -856.694 where: short stacking energy: -413.926 Base-Backbone interact. energy: -2.278 local terms energy: -520.167735 where: bonds (distance) C4'-P energy: -110.954 bonds (distance) P-C4' energy: -101.613 flat angles C4'-P-C4' energy: -102.106 flat angles P-C4'-P energy: -82.744 tors. eta vs tors. theta energy: -122.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1293.034243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.034243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.034243 (E_RNA) where: Base-Base interactions energy: -817.371 where: short stacking energy: -397.284 Base-Backbone interact. energy: -1.609 local terms energy: -474.054472 where: bonds (distance) C4'-P energy: -98.607 bonds (distance) P-C4' energy: -95.624 flat angles C4'-P-C4' energy: -99.715 flat angles P-C4'-P energy: -62.580 tors. eta vs tors. theta energy: -117.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1179.782840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.782840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.782840 (E_RNA) where: Base-Base interactions energy: -755.535 where: short stacking energy: -337.832 Base-Backbone interact. energy: 0.688 local terms energy: -424.935521 where: bonds (distance) C4'-P energy: -96.377 bonds (distance) P-C4' energy: -88.652 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -62.293 tors. eta vs tors. theta energy: -86.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1074.723563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.723563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.723563 (E_RNA) where: Base-Base interactions energy: -658.044 where: short stacking energy: -306.763 Base-Backbone interact. energy: -2.135 local terms energy: -414.544650 where: bonds (distance) C4'-P energy: -88.958 bonds (distance) P-C4' energy: -86.001 flat angles C4'-P-C4' energy: -93.488 flat angles P-C4'-P energy: -68.715 tors. eta vs tors. theta energy: -77.383 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -924.575696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.575696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.575696 (E_RNA) where: Base-Base interactions energy: -564.416 where: short stacking energy: -286.667 Base-Backbone interact. energy: -2.582 local terms energy: -357.576856 where: bonds (distance) C4'-P energy: -79.962 bonds (distance) P-C4' energy: -90.499 flat angles C4'-P-C4' energy: -79.217 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -53.133 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: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -856.456720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.456720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.456720 (E_RNA) where: Base-Base interactions energy: -501.922 where: short stacking energy: -247.618 Base-Backbone interact. energy: 0.147 local terms energy: -354.681323 where: bonds (distance) C4'-P energy: -88.640 bonds (distance) P-C4' energy: -80.267 flat angles C4'-P-C4' energy: -87.418 flat angles P-C4'-P energy: -51.551 tors. eta vs tors. theta energy: -46.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -756.663806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.663806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.663806 (E_RNA) where: Base-Base interactions energy: -451.865 where: short stacking energy: -240.558 Base-Backbone interact. energy: -0.431 local terms energy: -304.367484 where: bonds (distance) C4'-P energy: -80.761 bonds (distance) P-C4' energy: -79.744 flat angles C4'-P-C4' energy: -71.954 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -29.898 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: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -524.497736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.497736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.497736 (E_RNA) where: Base-Base interactions energy: -266.940 where: short stacking energy: -165.399 Base-Backbone interact. energy: 0.870 local terms energy: -258.428595 where: bonds (distance) C4'-P energy: -68.993 bonds (distance) P-C4' energy: -84.602 flat angles C4'-P-C4' energy: -70.098 flat angles P-C4'-P energy: -33.302 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -366.240155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.240155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.240155 (E_RNA) where: Base-Base interactions energy: -107.589 where: short stacking energy: -96.726 Base-Backbone interact. energy: -0.720 local terms energy: -257.931093 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -92.109 flat angles C4'-P-C4' energy: -69.556 flat angles P-C4'-P energy: -33.670 tors. eta vs tors. theta energy: 17.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1519.240846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.240846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.240846 (E_RNA) where: Base-Base interactions energy: -1009.967 where: short stacking energy: -435.274 Base-Backbone interact. energy: 0.886 local terms energy: -510.159806 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -104.678 flat angles C4'-P-C4' energy: -111.891 flat angles P-C4'-P energy: -72.917 tors. eta vs tors. theta energy: -132.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1403.986132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.986132 (E_RNA) where: Base-Base interactions energy: -913.628 where: short stacking energy: -436.486 Base-Backbone interact. energy: 0.687 local terms energy: -491.044627 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -107.734 flat angles P-C4'-P energy: -67.731 tors. eta vs tors. theta energy: -125.413 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: 155 Temperature: 1.000000 Total energy: -1283.162920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.162920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.162920 (E_RNA) where: Base-Base interactions energy: -820.579 where: short stacking energy: -391.995 Base-Backbone interact. energy: 1.375 local terms energy: -463.959332 where: bonds (distance) C4'-P energy: -99.994 bonds (distance) P-C4' energy: -103.905 flat angles C4'-P-C4' energy: -94.496 flat angles P-C4'-P energy: -59.588 tors. eta vs tors. theta energy: -105.977 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: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1161.759330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.759330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.759330 (E_RNA) where: Base-Base interactions energy: -746.737 where: short stacking energy: -319.587 Base-Backbone interact. energy: -4.117 local terms energy: -410.905660 where: bonds (distance) C4'-P energy: -86.035 bonds (distance) P-C4' energy: -90.366 flat angles C4'-P-C4' energy: -86.529 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: -86.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1116.832437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.832437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.832437 (E_RNA) where: Base-Base interactions energy: -724.841 where: short stacking energy: -317.951 Base-Backbone interact. energy: -0.792 local terms energy: -391.200317 where: bonds (distance) C4'-P energy: -76.364 bonds (distance) P-C4' energy: -88.890 flat angles C4'-P-C4' energy: -81.098 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -82.979 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -969.752558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.752558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.752558 (E_RNA) where: Base-Base interactions energy: -595.055 where: short stacking energy: -283.076 Base-Backbone interact. energy: 0.284 local terms energy: -374.981597 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -97.845 flat angles C4'-P-C4' energy: -87.834 flat angles P-C4'-P energy: -52.913 tors. eta vs tors. theta energy: -57.226 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: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -853.487027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.487027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.487027 (E_RNA) where: Base-Base interactions energy: -511.277 where: short stacking energy: -258.479 Base-Backbone interact. energy: -4.135 local terms energy: -338.074629 where: bonds (distance) C4'-P energy: -72.592 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -88.432 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -60.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -729.594630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.594630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.594630 (E_RNA) where: Base-Base interactions energy: -427.760 where: short stacking energy: -211.016 Base-Backbone interact. energy: -3.335 local terms energy: -298.499209 where: bonds (distance) C4'-P energy: -80.885 bonds (distance) P-C4' energy: -81.366 flat angles C4'-P-C4' energy: -62.592 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -26.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -554.830290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.830290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.830290 (E_RNA) where: Base-Base interactions energy: -288.725 where: short stacking energy: -161.971 Base-Backbone interact. energy: 1.630 local terms energy: -267.735024 where: bonds (distance) C4'-P energy: -79.517 bonds (distance) P-C4' energy: -76.849 flat angles C4'-P-C4' energy: -73.652 flat angles P-C4'-P energy: -20.162 tors. eta vs tors. theta energy: -17.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -392.089110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.089110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.089110 (E_RNA) where: Base-Base interactions energy: -155.418 where: short stacking energy: -116.857 Base-Backbone interact. energy: -1.118 local terms energy: -235.553159 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -80.841 flat angles C4'-P-C4' energy: -64.159 flat angles P-C4'-P energy: -35.542 tors. eta vs tors. theta energy: 19.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1541.351579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.351579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.351579 (E_RNA) where: Base-Base interactions energy: -1034.117 where: short stacking energy: -457.427 Base-Backbone interact. energy: -1.365 local terms energy: -505.869231 where: bonds (distance) C4'-P energy: -97.910 bonds (distance) P-C4' energy: -92.537 flat angles C4'-P-C4' energy: -106.034 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: -136.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1373.330261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.330261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.330261 (E_RNA) where: Base-Base interactions energy: -902.413 where: short stacking energy: -444.897 Base-Backbone interact. energy: -0.061 local terms energy: -470.856507 where: bonds (distance) C4'-P energy: -83.356 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -109.645 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: -127.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1245.468624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.468624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.468624 (E_RNA) where: Base-Base interactions energy: -794.870 where: short stacking energy: -408.419 Base-Backbone interact. energy: -2.862 local terms energy: -447.736694 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -87.734 flat angles C4'-P-C4' energy: -93.091 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: -118.429 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: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1192.170259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.170259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.170259 (E_RNA) where: Base-Base interactions energy: -776.028 where: short stacking energy: -367.409 Base-Backbone interact. energy: -2.132 local terms energy: -414.010008 where: bonds (distance) C4'-P energy: -79.134 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -97.544 flat angles P-C4'-P energy: -63.576 tors. eta vs tors. theta energy: -91.257 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: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1136.438183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.438183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.438183 (E_RNA) where: Base-Base interactions energy: -733.785 where: short stacking energy: -341.769 Base-Backbone interact. energy: -3.643 local terms energy: -399.009614 where: bonds (distance) C4'-P energy: -88.304 bonds (distance) P-C4' energy: -82.568 flat angles C4'-P-C4' energy: -103.371 flat angles P-C4'-P energy: -59.982 tors. eta vs tors. theta energy: -64.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -906.393894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.393894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.393894 (E_RNA) where: Base-Base interactions energy: -525.345 where: short stacking energy: -272.672 Base-Backbone interact. energy: -1.562 local terms energy: -379.487276 where: bonds (distance) C4'-P energy: -83.533 bonds (distance) P-C4' energy: -87.119 flat angles C4'-P-C4' energy: -85.609 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -51.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -854.615093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.615093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.615093 (E_RNA) where: Base-Base interactions energy: -495.296 where: short stacking energy: -247.648 Base-Backbone interact. energy: -0.890 local terms energy: -358.429098 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -86.187 flat angles C4'-P-C4' energy: -86.838 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -53.116 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: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -738.958929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.958929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.958929 (E_RNA) where: Base-Base interactions energy: -409.264 where: short stacking energy: -231.711 Base-Backbone interact. energy: -3.002 local terms energy: -326.693718 where: bonds (distance) C4'-P energy: -81.676 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -84.877 flat angles P-C4'-P energy: -53.130 tors. eta vs tors. theta energy: -27.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -554.501925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.501925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.501925 (E_RNA) where: Base-Base interactions energy: -272.977 where: short stacking energy: -166.476 Base-Backbone interact. energy: -0.189 local terms energy: -281.336090 where: bonds (distance) C4'-P energy: -65.341 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -71.695 flat angles P-C4'-P energy: -48.952 tors. eta vs tors. theta energy: -21.597 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: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -372.126275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.126275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.126275 (E_RNA) where: Base-Base interactions energy: -137.619 where: short stacking energy: -123.392 Base-Backbone interact. energy: 0.785 local terms energy: -235.292534 where: bonds (distance) C4'-P energy: -73.857 bonds (distance) P-C4' energy: -73.345 flat angles C4'-P-C4' energy: -60.402 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: 17.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1524.509845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.509845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.509845 (E_RNA) where: Base-Base interactions energy: -1012.557 where: short stacking energy: -440.303 Base-Backbone interact. energy: -1.519 local terms energy: -510.433037 where: bonds (distance) C4'-P energy: -94.813 bonds (distance) P-C4' energy: -102.490 flat angles C4'-P-C4' energy: -114.521 flat angles P-C4'-P energy: -66.628 tors. eta vs tors. theta energy: -131.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1376.094412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.094412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.094412 (E_RNA) where: Base-Base interactions energy: -893.795 where: short stacking energy: -424.361 Base-Backbone interact. energy: -0.934 local terms energy: -481.365118 where: bonds (distance) C4'-P energy: -94.573 bonds (distance) P-C4' energy: -97.394 flat angles C4'-P-C4' energy: -106.012 flat angles P-C4'-P energy: -55.709 tors. eta vs tors. theta energy: -127.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1283.638083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.638083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.638083 (E_RNA) where: Base-Base interactions energy: -819.265 where: short stacking energy: -406.251 Base-Backbone interact. energy: -3.252 local terms energy: -461.121276 where: bonds (distance) C4'-P energy: -101.553 bonds (distance) P-C4' energy: -89.673 flat angles C4'-P-C4' energy: -93.828 flat angles P-C4'-P energy: -69.064 tors. eta vs tors. theta energy: -107.003 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: 157 Temperature: 1.050000 Total energy: -1149.651157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.651157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.651157 (E_RNA) where: Base-Base interactions energy: -733.186 where: short stacking energy: -359.194 Base-Backbone interact. energy: -1.582 local terms energy: -414.882956 where: bonds (distance) C4'-P energy: -77.832 bonds (distance) P-C4' energy: -94.943 flat angles C4'-P-C4' energy: -98.678 flat angles P-C4'-P energy: -58.113 tors. eta vs tors. theta energy: -85.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1171.976600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.976600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.976600 (E_RNA) where: Base-Base interactions energy: -751.541 where: short stacking energy: -318.960 Base-Backbone interact. energy: -1.804 local terms energy: -418.631735 where: bonds (distance) C4'-P energy: -96.440 bonds (distance) P-C4' energy: -85.746 flat angles C4'-P-C4' energy: -90.414 flat angles P-C4'-P energy: -58.767 tors. eta vs tors. theta energy: -87.265 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: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -899.992537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.992537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.992537 (E_RNA) where: Base-Base interactions energy: -505.039 where: short stacking energy: -280.993 Base-Backbone interact. energy: 0.590 local terms energy: -395.544097 where: bonds (distance) C4'-P energy: -90.190 bonds (distance) P-C4' energy: -81.583 flat angles C4'-P-C4' energy: -93.934 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -66.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -860.324941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.324941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.324941 (E_RNA) where: Base-Base interactions energy: -534.704 where: short stacking energy: -262.188 Base-Backbone interact. energy: 2.039 local terms energy: -327.659966 where: bonds (distance) C4'-P energy: -74.112 bonds (distance) P-C4' energy: -80.201 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: -46.219 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: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -746.316635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.316635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.316635 (E_RNA) where: Base-Base interactions energy: -422.753 where: short stacking energy: -226.576 Base-Backbone interact. energy: -0.997 local terms energy: -322.566021 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -93.280 flat angles C4'-P-C4' energy: -80.038 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -22.714 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: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -533.024697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.024697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.024697 (E_RNA) where: Base-Base interactions energy: -238.886 where: short stacking energy: -151.731 Base-Backbone interact. energy: -1.224 local terms energy: -292.914713 where: bonds (distance) C4'-P energy: -71.707 bonds (distance) P-C4' energy: -83.545 flat angles C4'-P-C4' energy: -73.191 flat angles P-C4'-P energy: -51.051 tors. eta vs tors. theta energy: -13.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -372.171738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.171738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.171738 (E_RNA) where: Base-Base interactions energy: -128.270 where: short stacking energy: -118.278 Base-Backbone interact. energy: 3.062 local terms energy: -246.963571 where: bonds (distance) C4'-P energy: -71.881 bonds (distance) P-C4' energy: -78.263 flat angles C4'-P-C4' energy: -56.515 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: 4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1533.326787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.326787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.326787 (E_RNA) where: Base-Base interactions energy: -1037.761 where: short stacking energy: -450.462 Base-Backbone interact. energy: -2.818 local terms energy: -492.747190 where: bonds (distance) C4'-P energy: -80.377 bonds (distance) P-C4' energy: -105.616 flat angles C4'-P-C4' energy: -101.928 flat angles P-C4'-P energy: -68.878 tors. eta vs tors. theta energy: -135.948 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: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1364.069029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.069029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.069029 (E_RNA) where: Base-Base interactions energy: -881.695 where: short stacking energy: -410.373 Base-Backbone interact. energy: -2.388 local terms energy: -479.986482 where: bonds (distance) C4'-P energy: -92.642 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -106.976 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: -114.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1276.378653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.378653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.378653 (E_RNA) where: Base-Base interactions energy: -824.591 where: short stacking energy: -366.151 Base-Backbone interact. energy: -4.268 local terms energy: -447.519640 where: bonds (distance) C4'-P energy: -96.513 bonds (distance) P-C4' energy: -87.503 flat angles C4'-P-C4' energy: -99.280 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -96.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1161.567721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.567721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.567721 (E_RNA) where: Base-Base interactions energy: -740.564 where: short stacking energy: -349.485 Base-Backbone interact. energy: 2.094 local terms energy: -423.097451 where: bonds (distance) C4'-P energy: -87.927 bonds (distance) P-C4' energy: -94.037 flat angles C4'-P-C4' energy: -94.860 flat angles P-C4'-P energy: -58.467 tors. eta vs tors. theta energy: -87.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1163.158023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.158023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.158023 (E_RNA) where: Base-Base interactions energy: -738.092 where: short stacking energy: -335.164 Base-Backbone interact. energy: 1.862 local terms energy: -426.928541 where: bonds (distance) C4'-P energy: -80.368 bonds (distance) P-C4' energy: -93.078 flat angles C4'-P-C4' energy: -95.609 flat angles P-C4'-P energy: -59.588 tors. eta vs tors. theta energy: -98.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -884.336794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.336794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.336794 (E_RNA) where: Base-Base interactions energy: -524.657 where: short stacking energy: -255.485 Base-Backbone interact. energy: -0.528 local terms energy: -359.152576 where: bonds (distance) C4'-P energy: -86.753 bonds (distance) P-C4' energy: -72.899 flat angles C4'-P-C4' energy: -91.829 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -48.722 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: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -914.781589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.781589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.781589 (E_RNA) where: Base-Base interactions energy: -538.881 where: short stacking energy: -264.715 Base-Backbone interact. energy: 0.723 local terms energy: -376.623348 where: bonds (distance) C4'-P energy: -87.156 bonds (distance) P-C4' energy: -93.913 flat angles C4'-P-C4' energy: -78.810 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -61.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -723.394160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.394160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.394160 (E_RNA) where: Base-Base interactions energy: -410.942 where: short stacking energy: -226.948 Base-Backbone interact. energy: 1.045 local terms energy: -313.497728 where: bonds (distance) C4'-P energy: -73.931 bonds (distance) P-C4' energy: -82.031 flat angles C4'-P-C4' energy: -85.034 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -28.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -524.117881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.117881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.117881 (E_RNA) where: Base-Base interactions energy: -233.501 where: short stacking energy: -145.634 Base-Backbone interact. energy: 3.556 local terms energy: -294.173422 where: bonds (distance) C4'-P energy: -71.251 bonds (distance) P-C4' energy: -99.063 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -54.084 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -397.042369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.042369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.042369 (E_RNA) where: Base-Base interactions energy: -136.771 where: short stacking energy: -109.800 Base-Backbone interact. energy: 10.004 local terms energy: -270.275521 where: bonds (distance) C4'-P energy: -78.291 bonds (distance) P-C4' energy: -83.515 flat angles C4'-P-C4' energy: -77.099 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: 16.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1528.647465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.647465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.647465 (E_RNA) where: Base-Base interactions energy: -1015.031 where: short stacking energy: -442.481 Base-Backbone interact. energy: -1.171 local terms energy: -512.445326 where: bonds (distance) C4'-P energy: -90.675 bonds (distance) P-C4' energy: -95.418 flat angles C4'-P-C4' energy: -117.473 flat angles P-C4'-P energy: -73.763 tors. eta vs tors. theta energy: -135.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1360.662512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.662512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.662512 (E_RNA) where: Base-Base interactions energy: -890.324 where: short stacking energy: -444.559 Base-Backbone interact. energy: -0.866 local terms energy: -469.472753 where: bonds (distance) C4'-P energy: -90.725 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -65.467 tors. eta vs tors. theta energy: -122.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1290.124158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.124158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.124158 (E_RNA) where: Base-Base interactions energy: -853.321 where: short stacking energy: -369.820 Base-Backbone interact. energy: 0.764 local terms energy: -437.566794 where: bonds (distance) C4'-P energy: -90.948 bonds (distance) P-C4' energy: -92.085 flat angles C4'-P-C4' energy: -103.774 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -90.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1204.486863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.486863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.486863 (E_RNA) where: Base-Base interactions energy: -760.077 where: short stacking energy: -365.247 Base-Backbone interact. energy: -1.199 local terms energy: -443.210763 where: bonds (distance) C4'-P energy: -83.530 bonds (distance) P-C4' energy: -94.472 flat angles C4'-P-C4' energy: -101.641 flat angles P-C4'-P energy: -68.217 tors. eta vs tors. theta energy: -95.350 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: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1158.037356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.037356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.037356 (E_RNA) where: Base-Base interactions energy: -749.367 where: short stacking energy: -382.210 Base-Backbone interact. energy: -1.809 local terms energy: -406.861363 where: bonds (distance) C4'-P energy: -92.360 bonds (distance) P-C4' energy: -81.325 flat angles C4'-P-C4' energy: -79.870 flat angles P-C4'-P energy: -49.256 tors. eta vs tors. theta energy: -104.050 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: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -906.494665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.494665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.494665 (E_RNA) where: Base-Base interactions energy: -556.140 where: short stacking energy: -271.626 Base-Backbone interact. energy: -0.146 local terms energy: -350.208863 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -76.481 flat angles C4'-P-C4' energy: -95.621 flat angles P-C4'-P energy: -59.262 tors. eta vs tors. theta energy: -52.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -907.254099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.254099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.254099 (E_RNA) where: Base-Base interactions energy: -525.212 where: short stacking energy: -264.455 Base-Backbone interact. energy: 0.965 local terms energy: -383.006741 where: bonds (distance) C4'-P energy: -76.579 bonds (distance) P-C4' energy: -98.312 flat angles C4'-P-C4' energy: -91.394 flat angles P-C4'-P energy: -56.107 tors. eta vs tors. theta energy: -60.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -744.895152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.895152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.895152 (E_RNA) where: Base-Base interactions energy: -442.219 where: short stacking energy: -220.335 Base-Backbone interact. energy: -0.380 local terms energy: -302.296590 where: bonds (distance) C4'-P energy: -71.033 bonds (distance) P-C4' energy: -92.113 flat angles C4'-P-C4' energy: -65.437 flat angles P-C4'-P energy: -45.404 tors. eta vs tors. theta energy: -28.310 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: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -524.219793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.219793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.219793 (E_RNA) where: Base-Base interactions energy: -226.186 where: short stacking energy: -133.366 Base-Backbone interact. energy: -0.245 local terms energy: -297.789154 where: bonds (distance) C4'-P energy: -77.974 bonds (distance) P-C4' energy: -73.981 flat angles C4'-P-C4' energy: -83.395 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -3.217 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: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -398.093829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.093829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.093829 (E_RNA) where: Base-Base interactions energy: -149.147 where: short stacking energy: -113.655 Base-Backbone interact. energy: 1.758 local terms energy: -250.704018 where: bonds (distance) C4'-P energy: -76.906 bonds (distance) P-C4' energy: -78.898 flat angles C4'-P-C4' energy: -67.737 flat angles P-C4'-P energy: -40.386 tors. eta vs tors. theta energy: 13.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1521.234467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.234467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.234467 (E_RNA) where: Base-Base interactions energy: -1030.569 where: short stacking energy: -449.770 Base-Backbone interact. energy: -1.716 local terms energy: -488.949281 where: bonds (distance) C4'-P energy: -93.157 bonds (distance) P-C4' energy: -92.163 flat angles C4'-P-C4' energy: -100.542 flat angles P-C4'-P energy: -73.050 tors. eta vs tors. theta energy: -130.038 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: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1337.942292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.942292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.942292 (E_RNA) where: Base-Base interactions energy: -851.005 where: short stacking energy: -411.871 Base-Backbone interact. energy: -0.657 local terms energy: -486.280972 where: bonds (distance) C4'-P energy: -103.689 bonds (distance) P-C4' energy: -92.951 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -115.712 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: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1261.685524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.685524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.685524 (E_RNA) where: Base-Base interactions energy: -836.198 where: short stacking energy: -394.131 Base-Backbone interact. energy: 0.128 local terms energy: -425.614818 where: bonds (distance) C4'-P energy: -89.099 bonds (distance) P-C4' energy: -90.857 flat angles C4'-P-C4' energy: -90.477 flat angles P-C4'-P energy: -60.649 tors. eta vs tors. theta energy: -94.533 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: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1183.486314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.486314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.486314 (E_RNA) where: Base-Base interactions energy: -753.425 where: short stacking energy: -348.406 Base-Backbone interact. energy: -2.025 local terms energy: -428.036098 where: bonds (distance) C4'-P energy: -104.941 bonds (distance) P-C4' energy: -81.177 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -61.010 tors. eta vs tors. theta energy: -85.823 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: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1110.503113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.503113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.503113 (E_RNA) where: Base-Base interactions energy: -729.403 where: short stacking energy: -317.375 Base-Backbone interact. energy: 4.184 local terms energy: -385.283222 where: bonds (distance) C4'-P energy: -72.271 bonds (distance) P-C4' energy: -83.934 flat angles C4'-P-C4' energy: -86.882 flat angles P-C4'-P energy: -57.581 tors. eta vs tors. theta energy: -84.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -914.336882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.336882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.336882 (E_RNA) where: Base-Base interactions energy: -547.991 where: short stacking energy: -272.108 Base-Backbone interact. energy: -1.241 local terms energy: -365.105497 where: bonds (distance) C4'-P energy: -86.576 bonds (distance) P-C4' energy: -85.259 flat angles C4'-P-C4' energy: -93.056 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: -52.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -876.190338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.190338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.190338 (E_RNA) where: Base-Base interactions energy: -524.853 where: short stacking energy: -279.134 Base-Backbone interact. energy: -1.515 local terms energy: -349.822484 where: bonds (distance) C4'-P energy: -70.993 bonds (distance) P-C4' energy: -81.917 flat angles C4'-P-C4' energy: -82.776 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -66.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -733.897789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.897789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.897789 (E_RNA) where: Base-Base interactions energy: -423.657 where: short stacking energy: -221.947 Base-Backbone interact. energy: 3.027 local terms energy: -313.268656 where: bonds (distance) C4'-P energy: -65.210 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -86.139 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: -24.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -559.368882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.368882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.368882 (E_RNA) where: Base-Base interactions energy: -259.223 where: short stacking energy: -172.121 Base-Backbone interact. energy: 1.754 local terms energy: -301.898900 where: bonds (distance) C4'-P energy: -80.810 bonds (distance) P-C4' energy: -95.600 flat angles C4'-P-C4' energy: -66.297 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -22.597 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: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -427.165460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.165460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.165460 (E_RNA) where: Base-Base interactions energy: -180.955 where: short stacking energy: -116.640 Base-Backbone interact. energy: 2.869 local terms energy: -249.079580 where: bonds (distance) C4'-P energy: -79.365 bonds (distance) P-C4' energy: -75.253 flat angles C4'-P-C4' energy: -71.253 flat angles P-C4'-P energy: -36.918 tors. eta vs tors. theta energy: 13.710 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: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1524.343834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.343834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.343834 (E_RNA) where: Base-Base interactions energy: -1025.045 where: short stacking energy: -460.466 Base-Backbone interact. energy: -3.404 local terms energy: -495.894955 where: bonds (distance) C4'-P energy: -94.462 bonds (distance) P-C4' energy: -101.785 flat angles C4'-P-C4' energy: -105.997 flat angles P-C4'-P energy: -65.746 tors. eta vs tors. theta energy: -127.906 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: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1395.412839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.412839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.412839 (E_RNA) where: Base-Base interactions energy: -918.414 where: short stacking energy: -448.194 Base-Backbone interact. energy: -1.418 local terms energy: -475.580706 where: bonds (distance) C4'-P energy: -102.518 bonds (distance) P-C4' energy: -88.491 flat angles C4'-P-C4' energy: -99.582 flat angles P-C4'-P energy: -65.746 tors. eta vs tors. theta energy: -119.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1284.226902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.226902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.226902 (E_RNA) where: Base-Base interactions energy: -849.787 where: short stacking energy: -365.583 Base-Backbone interact. energy: 1.360 local terms energy: -435.800297 where: bonds (distance) C4'-P energy: -81.909 bonds (distance) P-C4' energy: -98.893 flat angles C4'-P-C4' energy: -92.561 flat angles P-C4'-P energy: -61.631 tors. eta vs tors. theta energy: -100.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1224.358137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.358137 (E_RNA) where: Base-Base interactions energy: -777.763 where: short stacking energy: -366.187 Base-Backbone interact. energy: 5.882 local terms energy: -452.476985 where: bonds (distance) C4'-P energy: -87.891 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -102.848 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -101.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1130.402306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.402306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.402306 (E_RNA) where: Base-Base interactions energy: -706.102 where: short stacking energy: -344.344 Base-Backbone interact. energy: 1.607 local terms energy: -425.906784 where: bonds (distance) C4'-P energy: -82.177 bonds (distance) P-C4' energy: -98.763 flat angles C4'-P-C4' energy: -92.046 flat angles P-C4'-P energy: -69.175 tors. eta vs tors. theta energy: -83.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -916.290600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.290600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.290600 (E_RNA) where: Base-Base interactions energy: -559.258 where: short stacking energy: -277.433 Base-Backbone interact. energy: -1.019 local terms energy: -356.013894 where: bonds (distance) C4'-P energy: -75.182 bonds (distance) P-C4' energy: -79.474 flat angles C4'-P-C4' energy: -79.894 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -60.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -893.436448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.436448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.436448 (E_RNA) where: Base-Base interactions energy: -553.540 where: short stacking energy: -262.843 Base-Backbone interact. energy: -0.713 local terms energy: -339.183914 where: bonds (distance) C4'-P energy: -86.166 bonds (distance) P-C4' energy: -88.128 flat angles C4'-P-C4' energy: -72.334 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -51.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -711.915376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.915376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.915376 (E_RNA) where: Base-Base interactions energy: -414.084 where: short stacking energy: -204.799 Base-Backbone interact. energy: 0.244 local terms energy: -298.075688 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -77.669 flat angles C4'-P-C4' energy: -76.448 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: -44.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -499.176363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.176363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.176363 (E_RNA) where: Base-Base interactions energy: -240.472 where: short stacking energy: -142.535 Base-Backbone interact. energy: 5.886 local terms energy: -264.591124 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -52.506 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -14.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -387.366002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.366002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.366002 (E_RNA) where: Base-Base interactions energy: -133.259 where: short stacking energy: -113.958 Base-Backbone interact. energy: 0.812 local terms energy: -254.919313 where: bonds (distance) C4'-P energy: -83.003 bonds (distance) P-C4' energy: -74.180 flat angles C4'-P-C4' energy: -55.271 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: 11.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1528.482609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.482609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.482609 (E_RNA) where: Base-Base interactions energy: -1039.031 where: short stacking energy: -471.488 Base-Backbone interact. energy: -1.215 local terms energy: -488.236779 where: bonds (distance) C4'-P energy: -91.479 bonds (distance) P-C4' energy: -102.169 flat angles C4'-P-C4' energy: -108.740 flat angles P-C4'-P energy: -58.844 tors. eta vs tors. theta energy: -127.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1384.069935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.069935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.069935 (E_RNA) where: Base-Base interactions energy: -897.780 where: short stacking energy: -419.339 Base-Backbone interact. energy: -0.948 local terms energy: -485.342126 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -105.468 flat angles C4'-P-C4' energy: -109.527 flat angles P-C4'-P energy: -73.718 tors. eta vs tors. theta energy: -103.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1340.877179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.877179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.877179 (E_RNA) where: Base-Base interactions energy: -869.288 where: short stacking energy: -399.509 Base-Backbone interact. energy: -1.704 local terms energy: -469.884610 where: bonds (distance) C4'-P energy: -99.691 bonds (distance) P-C4' energy: -85.570 flat angles C4'-P-C4' energy: -102.648 flat angles P-C4'-P energy: -73.508 tors. eta vs tors. theta energy: -108.468 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: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1181.782611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.782611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.782611 (E_RNA) where: Base-Base interactions energy: -759.199 where: short stacking energy: -331.422 Base-Backbone interact. energy: -3.123 local terms energy: -419.460893 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -88.820 flat angles C4'-P-C4' energy: -99.467 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -94.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1127.465262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.465262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.465262 (E_RNA) where: Base-Base interactions energy: -720.680 where: short stacking energy: -356.788 Base-Backbone interact. energy: -0.899 local terms energy: -405.886179 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -93.393 flat angles C4'-P-C4' energy: -84.500 flat angles P-C4'-P energy: -60.974 tors. eta vs tors. theta energy: -89.750 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -940.147370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.147370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.147370 (E_RNA) where: Base-Base interactions energy: -562.829 where: short stacking energy: -298.142 Base-Backbone interact. energy: -0.993 local terms energy: -376.324532 where: bonds (distance) C4'-P energy: -93.258 bonds (distance) P-C4' energy: -89.544 flat angles C4'-P-C4' energy: -83.985 flat angles P-C4'-P energy: -50.943 tors. eta vs tors. theta energy: -58.596 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: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -907.566884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.566884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.566884 (E_RNA) where: Base-Base interactions energy: -552.518 where: short stacking energy: -267.243 Base-Backbone interact. energy: 0.157 local terms energy: -355.206216 where: bonds (distance) C4'-P energy: -92.032 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -95.354 flat angles P-C4'-P energy: -39.044 tors. eta vs tors. theta energy: -55.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -736.737848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.737848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.737848 (E_RNA) where: Base-Base interactions energy: -426.258 where: short stacking energy: -237.323 Base-Backbone interact. energy: 4.375 local terms energy: -314.854333 where: bonds (distance) C4'-P energy: -71.088 bonds (distance) P-C4' energy: -76.605 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -45.089 tors. eta vs tors. theta energy: -47.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -505.390416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.390416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.390416 (E_RNA) where: Base-Base interactions energy: -218.993 where: short stacking energy: -131.187 Base-Backbone interact. energy: 0.758 local terms energy: -287.155549 where: bonds (distance) C4'-P energy: -76.949 bonds (distance) P-C4' energy: -87.308 flat angles C4'-P-C4' energy: -77.501 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: 11.266 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -386.962473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.962473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.962473 (E_RNA) where: Base-Base interactions energy: -126.982 where: short stacking energy: -102.144 Base-Backbone interact. energy: -0.214 local terms energy: -259.765671 where: bonds (distance) C4'-P energy: -72.986 bonds (distance) P-C4' energy: -74.959 flat angles C4'-P-C4' energy: -89.659 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: 17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1516.523586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.523586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.523586 (E_RNA) where: Base-Base interactions energy: -1040.307 where: short stacking energy: -442.122 Base-Backbone interact. energy: -1.146 local terms energy: -475.070250 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -92.966 flat angles C4'-P-C4' energy: -101.016 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -115.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1380.789384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.789384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.789384 (E_RNA) where: Base-Base interactions energy: -900.795 where: short stacking energy: -397.504 Base-Backbone interact. energy: -2.761 local terms energy: -477.233635 where: bonds (distance) C4'-P energy: -99.204 bonds (distance) P-C4' energy: -105.593 flat angles C4'-P-C4' energy: -97.263 flat angles P-C4'-P energy: -66.065 tors. eta vs tors. theta energy: -109.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1328.697570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.697570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.697570 (E_RNA) where: Base-Base interactions energy: -865.604 where: short stacking energy: -413.893 Base-Backbone interact. energy: -2.401 local terms energy: -460.692204 where: bonds (distance) C4'-P energy: -93.385 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -100.289 flat angles P-C4'-P energy: -61.493 tors. eta vs tors. theta energy: -103.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1198.007964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.007964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.007964 (E_RNA) where: Base-Base interactions energy: -758.702 where: short stacking energy: -369.416 Base-Backbone interact. energy: -2.507 local terms energy: -436.799303 where: bonds (distance) C4'-P energy: -92.548 bonds (distance) P-C4' energy: -91.036 flat angles C4'-P-C4' energy: -96.815 flat angles P-C4'-P energy: -62.408 tors. eta vs tors. theta energy: -93.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1153.132564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.132564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.132564 (E_RNA) where: Base-Base interactions energy: -740.165 where: short stacking energy: -367.299 Base-Backbone interact. energy: -1.521 local terms energy: -411.446542 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -82.686 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -67.581 tors. eta vs tors. theta energy: -96.607 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: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -989.041694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.041694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.041694 (E_RNA) where: Base-Base interactions energy: -596.761 where: short stacking energy: -297.316 Base-Backbone interact. energy: -1.733 local terms energy: -390.547522 where: bonds (distance) C4'-P energy: -85.800 bonds (distance) P-C4' energy: -91.442 flat angles C4'-P-C4' energy: -81.066 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: -68.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -888.322830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.322830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.322830 (E_RNA) where: Base-Base interactions energy: -534.892 where: short stacking energy: -260.772 Base-Backbone interact. energy: -0.189 local terms energy: -353.241443 where: bonds (distance) C4'-P energy: -86.289 bonds (distance) P-C4' energy: -97.842 flat angles C4'-P-C4' energy: -76.025 flat angles P-C4'-P energy: -47.306 tors. eta vs tors. theta energy: -45.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -750.647552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.647552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.647552 (E_RNA) where: Base-Base interactions energy: -417.541 where: short stacking energy: -213.724 Base-Backbone interact. energy: 2.550 local terms energy: -335.656678 where: bonds (distance) C4'-P energy: -70.064 bonds (distance) P-C4' energy: -82.544 flat angles C4'-P-C4' energy: -74.733 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -55.045 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: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -509.790047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.790047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.790047 (E_RNA) where: Base-Base interactions energy: -245.617 where: short stacking energy: -150.004 Base-Backbone interact. energy: 2.049 local terms energy: -266.222546 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -74.989 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -33.091 tors. eta vs tors. theta energy: 7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -373.202971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.202971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.202971 (E_RNA) where: Base-Base interactions energy: -121.244 where: short stacking energy: -102.379 Base-Backbone interact. energy: 11.347 local terms energy: -263.305759 where: bonds (distance) C4'-P energy: -61.106 bonds (distance) P-C4' energy: -84.464 flat angles C4'-P-C4' energy: -80.989 flat angles P-C4'-P energy: -39.580 tors. eta vs tors. theta energy: 2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1476.768862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.768862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.768862 (E_RNA) where: Base-Base interactions energy: -1015.747 where: short stacking energy: -436.357 Base-Backbone interact. energy: -3.293 local terms energy: -457.728151 where: bonds (distance) C4'-P energy: -89.743 bonds (distance) P-C4' energy: -97.532 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: -114.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1379.354685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.354685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.354685 (E_RNA) where: Base-Base interactions energy: -900.512 where: short stacking energy: -415.222 Base-Backbone interact. energy: -3.634 local terms energy: -475.209120 where: bonds (distance) C4'-P energy: -97.959 bonds (distance) P-C4' energy: -86.219 flat angles C4'-P-C4' energy: -102.217 flat angles P-C4'-P energy: -76.639 tors. eta vs tors. theta energy: -112.175 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: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1312.251128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.251128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.251128 (E_RNA) where: Base-Base interactions energy: -848.626 where: short stacking energy: -417.279 Base-Backbone interact. energy: -0.683 local terms energy: -462.942494 where: bonds (distance) C4'-P energy: -92.118 bonds (distance) P-C4' energy: -101.820 flat angles C4'-P-C4' energy: -106.348 flat angles P-C4'-P energy: -52.861 tors. eta vs tors. theta energy: -109.795 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: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1172.449673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.449673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.449673 (E_RNA) where: Base-Base interactions energy: -762.280 where: short stacking energy: -350.692 Base-Backbone interact. energy: -3.130 local terms energy: -407.039642 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -94.545 flat angles C4'-P-C4' energy: -92.960 flat angles P-C4'-P energy: -56.681 tors. eta vs tors. theta energy: -82.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1155.376074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.376074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.376074 (E_RNA) where: Base-Base interactions energy: -731.528 where: short stacking energy: -355.341 Base-Backbone interact. energy: -0.911 local terms energy: -422.937409 where: bonds (distance) C4'-P energy: -92.861 bonds (distance) P-C4' energy: -92.344 flat angles C4'-P-C4' energy: -82.725 flat angles P-C4'-P energy: -54.771 tors. eta vs tors. theta energy: -100.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -940.596020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.596020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.596020 (E_RNA) where: Base-Base interactions energy: -567.728 where: short stacking energy: -298.208 Base-Backbone interact. energy: -2.080 local terms energy: -370.788054 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -85.484 flat angles C4'-P-C4' energy: -82.790 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -71.809 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: 3 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -871.313325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.313325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.313325 (E_RNA) where: Base-Base interactions energy: -516.693 where: short stacking energy: -243.765 Base-Backbone interact. energy: 1.023 local terms energy: -355.643243 where: bonds (distance) C4'-P energy: -71.156 bonds (distance) P-C4' energy: -89.556 flat angles C4'-P-C4' energy: -97.162 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: -52.783 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: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -696.130759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.130759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.130759 (E_RNA) where: Base-Base interactions energy: -379.797 where: short stacking energy: -189.708 Base-Backbone interact. energy: -2.186 local terms energy: -314.147735 where: bonds (distance) C4'-P energy: -81.662 bonds (distance) P-C4' energy: -89.747 flat angles C4'-P-C4' energy: -73.446 flat angles P-C4'-P energy: -53.362 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: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -559.982079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.982079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.982079 (E_RNA) where: Base-Base interactions energy: -294.712 where: short stacking energy: -163.846 Base-Backbone interact. energy: 7.318 local terms energy: -272.588269 where: bonds (distance) C4'-P energy: -78.140 bonds (distance) P-C4' energy: -84.246 flat angles C4'-P-C4' energy: -69.423 flat angles P-C4'-P energy: -39.249 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -372.754552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.754552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.754552 (E_RNA) where: Base-Base interactions energy: -128.281 where: short stacking energy: -124.283 Base-Backbone interact. energy: -1.262 local terms energy: -243.211802 where: bonds (distance) C4'-P energy: -71.368 bonds (distance) P-C4' energy: -93.622 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -30.760 tors. eta vs tors. theta energy: 14.113 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: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1474.527656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.527656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.527656 (E_RNA) where: Base-Base interactions energy: -991.628 where: short stacking energy: -422.552 Base-Backbone interact. energy: -2.410 local terms energy: -480.490416 where: bonds (distance) C4'-P energy: -98.884 bonds (distance) P-C4' energy: -92.372 flat angles C4'-P-C4' energy: -104.946 flat angles P-C4'-P energy: -66.199 tors. eta vs tors. theta energy: -118.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1386.840478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.840478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.840478 (E_RNA) where: Base-Base interactions energy: -927.520 where: short stacking energy: -416.927 Base-Backbone interact. energy: -3.965 local terms energy: -455.355805 where: bonds (distance) C4'-P energy: -77.226 bonds (distance) P-C4' energy: -93.356 flat angles C4'-P-C4' energy: -97.590 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -114.585 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: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1321.355372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.355372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.355372 (E_RNA) where: Base-Base interactions energy: -849.057 where: short stacking energy: -424.034 Base-Backbone interact. energy: -1.057 local terms energy: -471.241799 where: bonds (distance) C4'-P energy: -93.556 bonds (distance) P-C4' energy: -98.252 flat angles C4'-P-C4' energy: -94.550 flat angles P-C4'-P energy: -66.043 tors. eta vs tors. theta energy: -118.842 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1214.607791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.607791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.607791 (E_RNA) where: Base-Base interactions energy: -783.994 where: short stacking energy: -346.395 Base-Backbone interact. energy: -3.032 local terms energy: -427.582033 where: bonds (distance) C4'-P energy: -93.937 bonds (distance) P-C4' energy: -83.895 flat angles C4'-P-C4' energy: -95.899 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -91.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1130.120810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.120810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.120810 (E_RNA) where: Base-Base interactions energy: -728.910 where: short stacking energy: -338.192 Base-Backbone interact. energy: 0.363 local terms energy: -401.574016 where: bonds (distance) C4'-P energy: -89.081 bonds (distance) P-C4' energy: -88.999 flat angles C4'-P-C4' energy: -89.961 flat angles P-C4'-P energy: -48.525 tors. eta vs tors. theta energy: -85.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -913.824464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.824464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.824464 (E_RNA) where: Base-Base interactions energy: -561.496 where: short stacking energy: -283.049 Base-Backbone interact. energy: -1.907 local terms energy: -350.422000 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -82.936 flat angles C4'-P-C4' energy: -84.023 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -53.041 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: 7, replica: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -835.045627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.045627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.045627 (E_RNA) where: Base-Base interactions energy: -493.372 where: short stacking energy: -254.844 Base-Backbone interact. energy: 0.985 local terms energy: -342.658854 where: bonds (distance) C4'-P energy: -80.716 bonds (distance) P-C4' energy: -72.007 flat angles C4'-P-C4' energy: -89.792 flat angles P-C4'-P energy: -57.985 tors. eta vs tors. theta energy: -42.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -722.627480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.627480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.627480 (E_RNA) where: Base-Base interactions energy: -433.882 where: short stacking energy: -207.780 Base-Backbone interact. energy: -1.321 local terms energy: -287.424567 where: bonds (distance) C4'-P energy: -78.152 bonds (distance) P-C4' energy: -81.074 flat angles C4'-P-C4' energy: -78.382 flat angles P-C4'-P energy: -33.908 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: 9, replica: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -581.738820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.738820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.738820 (E_RNA) where: Base-Base interactions energy: -316.876 where: short stacking energy: -148.878 Base-Backbone interact. energy: 0.042 local terms energy: -264.905001 where: bonds (distance) C4'-P energy: -71.178 bonds (distance) P-C4' energy: -86.280 flat angles C4'-P-C4' energy: -59.888 flat angles P-C4'-P energy: -39.836 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -399.299267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.299267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.299267 (E_RNA) where: Base-Base interactions energy: -153.722 where: short stacking energy: -118.501 Base-Backbone interact. energy: 1.369 local terms energy: -246.945631 where: bonds (distance) C4'-P energy: -81.345 bonds (distance) P-C4' energy: -88.182 flat angles C4'-P-C4' energy: -70.450 flat angles P-C4'-P energy: -22.246 tors. eta vs tors. theta energy: 15.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1527.814311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.814311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.814311 (E_RNA) where: Base-Base interactions energy: -1039.965 where: short stacking energy: -461.898 Base-Backbone interact. energy: -2.024 local terms energy: -485.825305 where: bonds (distance) C4'-P energy: -82.089 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -68.855 tors. eta vs tors. theta energy: -130.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1357.160481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.160481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.160481 (E_RNA) where: Base-Base interactions energy: -901.961 where: short stacking energy: -398.919 Base-Backbone interact. energy: -1.697 local terms energy: -453.502686 where: bonds (distance) C4'-P energy: -79.450 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -109.036 flat angles P-C4'-P energy: -81.792 tors. eta vs tors. theta energy: -98.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1306.161808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.161808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.161808 (E_RNA) where: Base-Base interactions energy: -827.614 where: short stacking energy: -399.946 Base-Backbone interact. energy: -2.568 local terms energy: -475.980410 where: bonds (distance) C4'-P energy: -94.357 bonds (distance) P-C4' energy: -101.040 flat angles C4'-P-C4' energy: -101.218 flat angles P-C4'-P energy: -72.293 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: 166 Temperature: 1.050000 Total energy: -1264.615845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.615845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.615845 (E_RNA) where: Base-Base interactions energy: -830.543 where: short stacking energy: -375.862 Base-Backbone interact. energy: -0.064 local terms energy: -434.008237 where: bonds (distance) C4'-P energy: -88.584 bonds (distance) P-C4' energy: -89.808 flat angles C4'-P-C4' energy: -91.018 flat angles P-C4'-P energy: -57.846 tors. eta vs tors. theta energy: -106.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1126.205506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.205506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.205506 (E_RNA) where: Base-Base interactions energy: -692.859 where: short stacking energy: -305.084 Base-Backbone interact. energy: -3.816 local terms energy: -429.530255 where: bonds (distance) C4'-P energy: -79.661 bonds (distance) P-C4' energy: -95.756 flat angles C4'-P-C4' energy: -94.212 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -93.932 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: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -918.065911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.065911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.065911 (E_RNA) where: Base-Base interactions energy: -549.394 where: short stacking energy: -251.288 Base-Backbone interact. energy: 4.937 local terms energy: -373.609286 where: bonds (distance) C4'-P energy: -94.885 bonds (distance) P-C4' energy: -81.433 flat angles C4'-P-C4' energy: -86.715 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -58.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -803.812253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.812253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.812253 (E_RNA) where: Base-Base interactions energy: -493.736 where: short stacking energy: -229.718 Base-Backbone interact. energy: 0.935 local terms energy: -311.011055 where: bonds (distance) C4'-P energy: -85.206 bonds (distance) P-C4' energy: -87.443 flat angles C4'-P-C4' energy: -63.426 flat angles P-C4'-P energy: -56.385 tors. eta vs tors. theta energy: -18.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -748.151574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.151574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.151574 (E_RNA) where: Base-Base interactions energy: -445.453 where: short stacking energy: -217.774 Base-Backbone interact. energy: -1.012 local terms energy: -301.686355 where: bonds (distance) C4'-P energy: -79.333 bonds (distance) P-C4' energy: -83.696 flat angles C4'-P-C4' energy: -66.776 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -34.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -534.942040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.942040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.942040 (E_RNA) where: Base-Base interactions energy: -244.164 where: short stacking energy: -147.008 Base-Backbone interact. energy: 7.202 local terms energy: -297.979358 where: bonds (distance) C4'-P energy: -84.683 bonds (distance) P-C4' energy: -89.808 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -40.285 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -435.960923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.960923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.960923 (E_RNA) where: Base-Base interactions energy: -176.659 where: short stacking energy: -141.217 Base-Backbone interact. energy: -1.841 local terms energy: -257.460891 where: bonds (distance) C4'-P energy: -80.899 bonds (distance) P-C4' energy: -74.713 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -47.941 tors. eta vs tors. theta energy: 2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1535.162149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.162149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.162149 (E_RNA) where: Base-Base interactions energy: -1041.425 where: short stacking energy: -457.051 Base-Backbone interact. energy: -1.001 local terms energy: -492.736387 where: bonds (distance) C4'-P energy: -84.271 bonds (distance) P-C4' energy: -102.829 flat angles C4'-P-C4' energy: -103.945 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -133.259 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: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1367.712141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.712141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.712141 (E_RNA) where: Base-Base interactions energy: -889.054 where: short stacking energy: -417.316 Base-Backbone interact. energy: -0.378 local terms energy: -478.280880 where: bonds (distance) C4'-P energy: -86.415 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -101.739 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -120.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1331.138815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.138815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.138815 (E_RNA) where: Base-Base interactions energy: -873.954 where: short stacking energy: -386.352 Base-Backbone interact. energy: -3.584 local terms energy: -453.600939 where: bonds (distance) C4'-P energy: -89.266 bonds (distance) P-C4' energy: -95.008 flat angles C4'-P-C4' energy: -98.178 flat angles P-C4'-P energy: -65.333 tors. eta vs tors. theta energy: -105.815 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: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1241.820235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.820235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.820235 (E_RNA) where: Base-Base interactions energy: -804.456 where: short stacking energy: -387.799 Base-Backbone interact. energy: 1.261 local terms energy: -438.625273 where: bonds (distance) C4'-P energy: -86.452 bonds (distance) P-C4' energy: -82.503 flat angles C4'-P-C4' energy: -106.344 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -111.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1175.607660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.607660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.607660 (E_RNA) where: Base-Base interactions energy: -732.697 where: short stacking energy: -347.662 Base-Backbone interact. energy: -3.548 local terms energy: -439.362029 where: bonds (distance) C4'-P energy: -96.222 bonds (distance) P-C4' energy: -81.732 flat angles C4'-P-C4' energy: -106.655 flat angles P-C4'-P energy: -57.778 tors. eta vs tors. theta energy: -96.975 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: 6, replica: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -943.470658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.470658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.470658 (E_RNA) where: Base-Base interactions energy: -566.777 where: short stacking energy: -277.074 Base-Backbone interact. energy: 1.543 local terms energy: -378.236216 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -80.939 flat angles C4'-P-C4' energy: -88.780 flat angles P-C4'-P energy: -57.388 tors. eta vs tors. theta energy: -65.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -898.932236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.932236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.932236 (E_RNA) where: Base-Base interactions energy: -567.679 where: short stacking energy: -287.457 Base-Backbone interact. energy: 2.873 local terms energy: -334.126016 where: bonds (distance) C4'-P energy: -85.100 bonds (distance) P-C4' energy: -70.908 flat angles C4'-P-C4' energy: -81.656 flat angles P-C4'-P energy: -40.163 tors. eta vs tors. theta energy: -56.299 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -741.577088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.577088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.577088 (E_RNA) where: Base-Base interactions energy: -417.291 where: short stacking energy: -215.605 Base-Backbone interact. energy: 0.849 local terms energy: -325.135209 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -74.621 flat angles C4'-P-C4' energy: -77.792 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -37.337 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: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -546.091418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.091418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.091418 (E_RNA) where: Base-Base interactions energy: -269.391 where: short stacking energy: -139.326 Base-Backbone interact. energy: 0.661 local terms energy: -277.361406 where: bonds (distance) C4'-P energy: -76.436 bonds (distance) P-C4' energy: -79.334 flat angles C4'-P-C4' energy: -78.981 flat angles P-C4'-P energy: -42.633 tors. eta vs tors. theta energy: 0.023 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: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -412.703193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.703193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.703193 (E_RNA) where: Base-Base interactions energy: -176.379 where: short stacking energy: -135.056 Base-Backbone interact. energy: 0.438 local terms energy: -236.762037 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -91.683 flat angles C4'-P-C4' energy: -60.611 flat angles P-C4'-P energy: -31.608 tors. eta vs tors. theta energy: 11.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1539.939506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.939506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.939506 (E_RNA) where: Base-Base interactions energy: -1059.091 where: short stacking energy: -445.866 Base-Backbone interact. energy: -3.419 local terms energy: -477.429498 where: bonds (distance) C4'-P energy: -102.824 bonds (distance) P-C4' energy: -95.854 flat angles C4'-P-C4' energy: -93.397 flat angles P-C4'-P energy: -59.902 tors. eta vs tors. theta energy: -125.453 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: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1369.778250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.778250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.778250 (E_RNA) where: Base-Base interactions energy: -878.518 where: short stacking energy: -438.257 Base-Backbone interact. energy: -2.694 local terms energy: -488.565511 where: bonds (distance) C4'-P energy: -100.912 bonds (distance) P-C4' energy: -89.371 flat angles C4'-P-C4' energy: -99.752 flat angles P-C4'-P energy: -75.873 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: 168 Temperature: 1.000000 Total energy: -1305.835169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.835169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.835169 (E_RNA) where: Base-Base interactions energy: -858.831 where: short stacking energy: -416.805 Base-Backbone interact. energy: -2.003 local terms energy: -445.001646 where: bonds (distance) C4'-P energy: -80.298 bonds (distance) P-C4' energy: -95.086 flat angles C4'-P-C4' energy: -102.127 flat angles P-C4'-P energy: -60.333 tors. eta vs tors. theta energy: -107.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1252.711197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.711197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.711197 (E_RNA) where: Base-Base interactions energy: -794.606 where: short stacking energy: -378.880 Base-Backbone interact. energy: -3.446 local terms energy: -454.659699 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -82.166 flat angles C4'-P-C4' energy: -95.672 flat angles P-C4'-P energy: -68.741 tors. eta vs tors. theta energy: -123.786 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: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1136.856454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.856454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.856454 (E_RNA) where: Base-Base interactions energy: -731.662 where: short stacking energy: -346.529 Base-Backbone interact. energy: -1.954 local terms energy: -403.239524 where: bonds (distance) C4'-P energy: -74.579 bonds (distance) P-C4' energy: -71.959 flat angles C4'-P-C4' energy: -94.406 flat angles P-C4'-P energy: -66.110 tors. eta vs tors. theta energy: -96.186 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: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -934.393226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.393226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.393226 (E_RNA) where: Base-Base interactions energy: -556.192 where: short stacking energy: -281.985 Base-Backbone interact. energy: 0.733 local terms energy: -378.934078 where: bonds (distance) C4'-P energy: -90.802 bonds (distance) P-C4' energy: -86.028 flat angles C4'-P-C4' energy: -88.317 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -68.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -907.708248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.708248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.708248 (E_RNA) where: Base-Base interactions energy: -570.052 where: short stacking energy: -281.560 Base-Backbone interact. energy: -1.323 local terms energy: -336.333222 where: bonds (distance) C4'-P energy: -78.214 bonds (distance) P-C4' energy: -74.655 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -40.148 tors. eta vs tors. theta energy: -50.741 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: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -733.774378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.774378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.774378 (E_RNA) where: Base-Base interactions energy: -415.859 where: short stacking energy: -202.561 Base-Backbone interact. energy: 2.854 local terms energy: -320.769191 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -100.398 flat angles C4'-P-C4' energy: -87.808 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -24.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -577.496555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.496555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.496555 (E_RNA) where: Base-Base interactions energy: -298.914 where: short stacking energy: -167.332 Base-Backbone interact. energy: -1.905 local terms energy: -276.678037 where: bonds (distance) C4'-P energy: -76.482 bonds (distance) P-C4' energy: -76.545 flat angles C4'-P-C4' energy: -59.306 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: -19.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -380.146487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.146487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.146487 (E_RNA) where: Base-Base interactions energy: -130.806 where: short stacking energy: -109.170 Base-Backbone interact. energy: -0.433 local terms energy: -248.907740 where: bonds (distance) C4'-P energy: -66.554 bonds (distance) P-C4' energy: -80.493 flat angles C4'-P-C4' energy: -71.382 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: 17.736 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: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1515.651165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.651165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.651165 (E_RNA) where: Base-Base interactions energy: -1036.090 where: short stacking energy: -442.347 Base-Backbone interact. energy: 2.381 local terms energy: -481.942811 where: bonds (distance) C4'-P energy: -84.179 bonds (distance) P-C4' energy: -100.606 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -123.501 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: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1375.490186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.490186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.490186 (E_RNA) where: Base-Base interactions energy: -917.512 where: short stacking energy: -424.573 Base-Backbone interact. energy: -0.574 local terms energy: -457.404130 where: bonds (distance) C4'-P energy: -87.045 bonds (distance) P-C4' energy: -72.863 flat angles C4'-P-C4' energy: -108.059 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -122.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1314.302442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.302442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.302442 (E_RNA) where: Base-Base interactions energy: -854.545 where: short stacking energy: -381.585 Base-Backbone interact. energy: 1.466 local terms energy: -461.223204 where: bonds (distance) C4'-P energy: -97.028 bonds (distance) P-C4' energy: -89.827 flat angles C4'-P-C4' energy: -105.654 flat angles P-C4'-P energy: -66.217 tors. eta vs tors. theta energy: -102.498 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: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1215.859262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.859262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.859262 (E_RNA) where: Base-Base interactions energy: -770.521 where: short stacking energy: -364.042 Base-Backbone interact. energy: -2.298 local terms energy: -443.040975 where: bonds (distance) C4'-P energy: -91.407 bonds (distance) P-C4' energy: -88.661 flat angles C4'-P-C4' energy: -109.807 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -93.270 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: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1107.547837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.547837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.547837 (E_RNA) where: Base-Base interactions energy: -698.344 where: short stacking energy: -323.257 Base-Backbone interact. energy: -1.352 local terms energy: -407.851701 where: bonds (distance) C4'-P energy: -87.619 bonds (distance) P-C4' energy: -94.367 flat angles C4'-P-C4' energy: -80.445 flat angles P-C4'-P energy: -59.361 tors. eta vs tors. theta energy: -86.059 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: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -973.218466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.218466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.218466 (E_RNA) where: Base-Base interactions energy: -587.005 where: short stacking energy: -272.029 Base-Backbone interact. energy: -1.492 local terms energy: -384.721960 where: bonds (distance) C4'-P energy: -76.810 bonds (distance) P-C4' energy: -99.265 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -63.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -891.599437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.599437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.599437 (E_RNA) where: Base-Base interactions energy: -548.483 where: short stacking energy: -247.956 Base-Backbone interact. energy: -0.025 local terms energy: -343.092308 where: bonds (distance) C4'-P energy: -73.748 bonds (distance) P-C4' energy: -83.234 flat angles C4'-P-C4' energy: -73.261 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -54.640 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: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -768.738519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.738519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.738519 (E_RNA) where: Base-Base interactions energy: -445.660 where: short stacking energy: -203.848 Base-Backbone interact. energy: -0.618 local terms energy: -322.460915 where: bonds (distance) C4'-P energy: -78.915 bonds (distance) P-C4' energy: -72.807 flat angles C4'-P-C4' energy: -88.241 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -34.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -560.509400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.509400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.509400 (E_RNA) where: Base-Base interactions energy: -301.994 where: short stacking energy: -156.603 Base-Backbone interact. energy: -0.469 local terms energy: -258.046289 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -79.703 flat angles C4'-P-C4' energy: -53.927 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: 4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -364.358131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.358131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.358131 (E_RNA) where: Base-Base interactions energy: -117.512 where: short stacking energy: -80.043 Base-Backbone interact. energy: -0.910 local terms energy: -245.935651 where: bonds (distance) C4'-P energy: -61.500 bonds (distance) P-C4' energy: -94.259 flat angles C4'-P-C4' energy: -61.695 flat angles P-C4'-P energy: -60.281 tors. eta vs tors. theta energy: 31.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1538.118204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.118204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.118204 (E_RNA) where: Base-Base interactions energy: -1037.649 where: short stacking energy: -458.522 Base-Backbone interact. energy: -2.807 local terms energy: -497.662181 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -110.157 flat angles P-C4'-P energy: -74.583 tors. eta vs tors. theta energy: -130.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1381.803364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.803364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.803364 (E_RNA) where: Base-Base interactions energy: -883.256 where: short stacking energy: -436.067 Base-Backbone interact. energy: -1.639 local terms energy: -496.908244 where: bonds (distance) C4'-P energy: -96.618 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -103.277 flat angles P-C4'-P energy: -76.474 tors. eta vs tors. theta energy: -121.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1322.185072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.185072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.185072 (E_RNA) where: Base-Base interactions energy: -875.106 where: short stacking energy: -408.623 Base-Backbone interact. energy: 1.553 local terms energy: -448.631791 where: bonds (distance) C4'-P energy: -87.249 bonds (distance) P-C4' energy: -85.131 flat angles C4'-P-C4' energy: -106.600 flat angles P-C4'-P energy: -65.072 tors. eta vs tors. theta energy: -104.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1215.789927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.789927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.789927 (E_RNA) where: Base-Base interactions energy: -761.220 where: short stacking energy: -375.397 Base-Backbone interact. energy: -0.762 local terms energy: -453.807768 where: bonds (distance) C4'-P energy: -95.965 bonds (distance) P-C4' energy: -86.340 flat angles C4'-P-C4' energy: -97.454 flat angles P-C4'-P energy: -71.598 tors. eta vs tors. theta energy: -102.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1102.738699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.738699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.738699 (E_RNA) where: Base-Base interactions energy: -697.967 where: short stacking energy: -305.687 Base-Backbone interact. energy: 3.429 local terms energy: -408.200308 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -83.273 flat angles C4'-P-C4' energy: -103.734 flat angles P-C4'-P energy: -54.561 tors. eta vs tors. theta energy: -78.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -962.445856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.445856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.445856 (E_RNA) where: Base-Base interactions energy: -612.723 where: short stacking energy: -270.672 Base-Backbone interact. energy: 3.215 local terms energy: -352.937722 where: bonds (distance) C4'-P energy: -91.234 bonds (distance) P-C4' energy: -86.604 flat angles C4'-P-C4' energy: -62.553 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -60.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -884.053809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.053809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.053809 (E_RNA) where: Base-Base interactions energy: -543.788 where: short stacking energy: -254.770 Base-Backbone interact. energy: 3.528 local terms energy: -343.793603 where: bonds (distance) C4'-P energy: -76.238 bonds (distance) P-C4' energy: -81.304 flat angles C4'-P-C4' energy: -87.478 flat angles P-C4'-P energy: -55.788 tors. eta vs tors. theta energy: -42.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -750.031779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.031779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.031779 (E_RNA) where: Base-Base interactions energy: -425.861 where: short stacking energy: -185.541 Base-Backbone interact. energy: 3.244 local terms energy: -327.415453 where: bonds (distance) C4'-P energy: -74.878 bonds (distance) P-C4' energy: -91.240 flat angles C4'-P-C4' energy: -73.193 flat angles P-C4'-P energy: -57.538 tors. eta vs tors. theta energy: -30.566 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: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -519.506016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.506016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.506016 (E_RNA) where: Base-Base interactions energy: -237.696 where: short stacking energy: -152.818 Base-Backbone interact. energy: -2.064 local terms energy: -279.746300 where: bonds (distance) C4'-P energy: -75.287 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -79.488 flat angles P-C4'-P energy: -45.222 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -372.531250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.531250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.531250 (E_RNA) where: Base-Base interactions energy: -111.465 where: short stacking energy: -107.695 Base-Backbone interact. energy: 0.035 local terms energy: -261.101061 where: bonds (distance) C4'-P energy: -78.848 bonds (distance) P-C4' energy: -84.068 flat angles C4'-P-C4' energy: -58.824 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: 3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1519.326152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.326152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.326152 (E_RNA) where: Base-Base interactions energy: -1027.152 where: short stacking energy: -435.568 Base-Backbone interact. energy: -3.844 local terms energy: -488.330435 where: bonds (distance) C4'-P energy: -93.701 bonds (distance) P-C4' energy: -106.520 flat angles C4'-P-C4' energy: -103.800 flat angles P-C4'-P energy: -65.166 tors. eta vs tors. theta energy: -119.142 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: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1373.485398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.485398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.485398 (E_RNA) where: Base-Base interactions energy: -890.928 where: short stacking energy: -420.814 Base-Backbone interact. energy: -1.372 local terms energy: -481.186219 where: bonds (distance) C4'-P energy: -94.569 bonds (distance) P-C4' energy: -90.932 flat angles C4'-P-C4' energy: -110.969 flat angles P-C4'-P energy: -69.368 tors. eta vs tors. theta energy: -115.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1304.862793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.862793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.862793 (E_RNA) where: Base-Base interactions energy: -854.566 where: short stacking energy: -410.538 Base-Backbone interact. energy: 0.029 local terms energy: -450.325254 where: bonds (distance) C4'-P energy: -92.599 bonds (distance) P-C4' energy: -84.537 flat angles C4'-P-C4' energy: -102.742 flat angles P-C4'-P energy: -60.732 tors. eta vs tors. theta energy: -109.716 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: 171 Temperature: 1.050000 Total energy: -1190.270832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.270832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.270832 (E_RNA) where: Base-Base interactions energy: -747.721 where: short stacking energy: -369.907 Base-Backbone interact. energy: 2.629 local terms energy: -445.178574 where: bonds (distance) C4'-P energy: -91.808 bonds (distance) P-C4' energy: -96.665 flat angles C4'-P-C4' energy: -91.287 flat angles P-C4'-P energy: -66.652 tors. eta vs tors. theta energy: -98.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1080.033538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.033538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.033538 (E_RNA) where: Base-Base interactions energy: -690.096 where: short stacking energy: -324.948 Base-Backbone interact. energy: 2.269 local terms energy: -392.206651 where: bonds (distance) C4'-P energy: -82.393 bonds (distance) P-C4' energy: -85.103 flat angles C4'-P-C4' energy: -88.034 flat angles P-C4'-P energy: -59.412 tors. eta vs tors. theta energy: -77.264 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: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -936.064915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.064915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.064915 (E_RNA) where: Base-Base interactions energy: -577.615 where: short stacking energy: -277.394 Base-Backbone interact. energy: -1.905 local terms energy: -356.544559 where: bonds (distance) C4'-P energy: -85.236 bonds (distance) P-C4' energy: -78.829 flat angles C4'-P-C4' energy: -76.570 flat angles P-C4'-P energy: -53.374 tors. eta vs tors. theta energy: -62.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -915.699908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.699908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.699908 (E_RNA) where: Base-Base interactions energy: -572.876 where: short stacking energy: -284.287 Base-Backbone interact. energy: -0.499 local terms energy: -342.324942 where: bonds (distance) C4'-P energy: -72.069 bonds (distance) P-C4' energy: -95.358 flat angles C4'-P-C4' energy: -66.679 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -63.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -727.620750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.620750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.620750 (E_RNA) where: Base-Base interactions energy: -424.330 where: short stacking energy: -195.913 Base-Backbone interact. energy: -0.960 local terms energy: -302.331281 where: bonds (distance) C4'-P energy: -84.232 bonds (distance) P-C4' energy: -91.567 flat angles C4'-P-C4' energy: -78.457 flat angles P-C4'-P energy: -33.613 tors. eta vs tors. theta energy: -14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -585.994548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.994548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.994548 (E_RNA) where: Base-Base interactions energy: -308.715 where: short stacking energy: -157.143 Base-Backbone interact. energy: 5.190 local terms energy: -282.469260 where: bonds (distance) C4'-P energy: -99.291 bonds (distance) P-C4' energy: -69.838 flat angles C4'-P-C4' energy: -83.888 flat angles P-C4'-P energy: -33.170 tors. eta vs tors. theta energy: 3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -387.906072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.906072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.906072 (E_RNA) where: Base-Base interactions energy: -159.180 where: short stacking energy: -122.906 Base-Backbone interact. energy: 4.779 local terms energy: -233.504908 where: bonds (distance) C4'-P energy: -56.790 bonds (distance) P-C4' energy: -77.981 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: 20.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1516.233993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.233993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.233993 (E_RNA) where: Base-Base interactions energy: -1042.064 where: short stacking energy: -454.079 Base-Backbone interact. energy: -1.065 local terms energy: -473.104976 where: bonds (distance) C4'-P energy: -92.986 bonds (distance) P-C4' energy: -89.771 flat angles C4'-P-C4' energy: -95.115 flat angles P-C4'-P energy: -70.305 tors. eta vs tors. theta energy: -124.928 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: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1383.820667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.820667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.820667 (E_RNA) where: Base-Base interactions energy: -903.647 where: short stacking energy: -438.776 Base-Backbone interact. energy: -1.530 local terms energy: -478.642776 where: bonds (distance) C4'-P energy: -84.718 bonds (distance) P-C4' energy: -90.359 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -71.974 tors. eta vs tors. theta energy: -131.491 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: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1291.170986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.170986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.170986 (E_RNA) where: Base-Base interactions energy: -839.563 where: short stacking energy: -415.850 Base-Backbone interact. energy: -3.995 local terms energy: -447.612511 where: bonds (distance) C4'-P energy: -80.126 bonds (distance) P-C4' energy: -90.373 flat angles C4'-P-C4' energy: -102.386 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -112.882 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: 172 Temperature: 1.050000 Total energy: -1183.597885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.597885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.597885 (E_RNA) where: Base-Base interactions energy: -746.872 where: short stacking energy: -334.994 Base-Backbone interact. energy: 1.845 local terms energy: -438.571521 where: bonds (distance) C4'-P energy: -86.249 bonds (distance) P-C4' energy: -110.487 flat angles C4'-P-C4' energy: -84.954 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -86.147 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: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1094.097185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.097185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.097185 (E_RNA) where: Base-Base interactions energy: -677.305 where: short stacking energy: -299.988 Base-Backbone interact. energy: 0.360 local terms energy: -417.152206 where: bonds (distance) C4'-P energy: -97.269 bonds (distance) P-C4' energy: -90.822 flat angles C4'-P-C4' energy: -91.642 flat angles P-C4'-P energy: -65.490 tors. eta vs tors. theta energy: -71.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -971.809731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.809731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.809731 (E_RNA) where: Base-Base interactions energy: -594.526 where: short stacking energy: -287.834 Base-Backbone interact. energy: -0.855 local terms energy: -376.428824 where: bonds (distance) C4'-P energy: -92.479 bonds (distance) P-C4' energy: -91.785 flat angles C4'-P-C4' energy: -83.844 flat angles P-C4'-P energy: -58.015 tors. eta vs tors. theta energy: -50.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -840.885048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.885048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.885048 (E_RNA) where: Base-Base interactions energy: -502.515 where: short stacking energy: -235.823 Base-Backbone interact. energy: -1.277 local terms energy: -337.092360 where: bonds (distance) C4'-P energy: -80.068 bonds (distance) P-C4' energy: -92.988 flat angles C4'-P-C4' energy: -82.389 flat angles P-C4'-P energy: -32.477 tors. eta vs tors. theta energy: -49.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -730.258920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.258920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.258920 (E_RNA) where: Base-Base interactions energy: -420.783 where: short stacking energy: -213.853 Base-Backbone interact. energy: 0.997 local terms energy: -310.473343 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -95.890 flat angles C4'-P-C4' energy: -72.246 flat angles P-C4'-P energy: -34.810 tors. eta vs tors. theta energy: -29.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -590.073744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.073744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.073744 (E_RNA) where: Base-Base interactions energy: -275.439 where: short stacking energy: -155.928 Base-Backbone interact. energy: -0.544 local terms energy: -314.091026 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -96.999 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -49.083 tors. eta vs tors. theta energy: -0.482 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: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -392.069141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.069141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.069141 (E_RNA) where: Base-Base interactions energy: -161.407 where: short stacking energy: -111.703 Base-Backbone interact. energy: 1.690 local terms energy: -232.352022 where: bonds (distance) C4'-P energy: -59.574 bonds (distance) P-C4' energy: -104.072 flat angles C4'-P-C4' energy: -58.035 flat angles P-C4'-P energy: -28.828 tors. eta vs tors. theta energy: 18.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1515.741365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.741365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.741365 (E_RNA) where: Base-Base interactions energy: -1030.182 where: short stacking energy: -438.045 Base-Backbone interact. energy: -0.217 local terms energy: -485.342534 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -103.634 flat angles P-C4'-P energy: -66.340 tors. eta vs tors. theta energy: -122.311 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: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1405.853283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.853283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.853283 (E_RNA) where: Base-Base interactions energy: -909.630 where: short stacking energy: -438.620 Base-Backbone interact. energy: -0.645 local terms energy: -495.578745 where: bonds (distance) C4'-P energy: -86.680 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -113.593 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -122.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1290.588796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.588796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.588796 (E_RNA) where: Base-Base interactions energy: -812.235 where: short stacking energy: -397.688 Base-Backbone interact. energy: -3.533 local terms energy: -474.821014 where: bonds (distance) C4'-P energy: -97.548 bonds (distance) P-C4' energy: -98.220 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: -110.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1221.575970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.575970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.575970 (E_RNA) where: Base-Base interactions energy: -764.698 where: short stacking energy: -384.397 Base-Backbone interact. energy: -0.654 local terms energy: -456.223127 where: bonds (distance) C4'-P energy: -83.419 bonds (distance) P-C4' energy: -108.388 flat angles C4'-P-C4' energy: -91.290 flat angles P-C4'-P energy: -63.344 tors. eta vs tors. theta energy: -109.783 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: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1119.457542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.457542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.457542 (E_RNA) where: Base-Base interactions energy: -695.656 where: short stacking energy: -326.722 Base-Backbone interact. energy: -0.992 local terms energy: -422.809631 where: bonds (distance) C4'-P energy: -101.356 bonds (distance) P-C4' energy: -85.515 flat angles C4'-P-C4' energy: -99.519 flat angles P-C4'-P energy: -54.180 tors. eta vs tors. theta energy: -82.240 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: 173 Temperature: 1.150000 Total energy: -977.378866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.378866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.378866 (E_RNA) where: Base-Base interactions energy: -583.264 where: short stacking energy: -273.027 Base-Backbone interact. energy: 0.452 local terms energy: -394.566579 where: bonds (distance) C4'-P energy: -87.618 bonds (distance) P-C4' energy: -100.221 flat angles C4'-P-C4' energy: -93.364 flat angles P-C4'-P energy: -59.642 tors. eta vs tors. theta energy: -53.723 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: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -818.211547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.211547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.211547 (E_RNA) where: Base-Base interactions energy: -488.904 where: short stacking energy: -234.115 Base-Backbone interact. energy: -0.828 local terms energy: -328.479425 where: bonds (distance) C4'-P energy: -61.444 bonds (distance) P-C4' energy: -88.638 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -54.915 tors. eta vs tors. theta energy: -44.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -729.664142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.664142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.664142 (E_RNA) where: Base-Base interactions energy: -406.275 where: short stacking energy: -200.050 Base-Backbone interact. energy: 2.887 local terms energy: -326.276123 where: bonds (distance) C4'-P energy: -88.007 bonds (distance) P-C4' energy: -74.844 flat angles C4'-P-C4' energy: -78.184 flat angles P-C4'-P energy: -59.066 tors. eta vs tors. theta energy: -26.175 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: 4 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -622.027286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.027286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.027286 (E_RNA) where: Base-Base interactions energy: -302.765 where: short stacking energy: -172.296 Base-Backbone interact. energy: -0.025 local terms energy: -319.237461 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -79.456 flat angles C4'-P-C4' energy: -87.398 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -28.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -359.133426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.133426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.133426 (E_RNA) where: Base-Base interactions energy: -107.736 where: short stacking energy: -92.490 Base-Backbone interact. energy: 3.503 local terms energy: -254.899666 where: bonds (distance) C4'-P energy: -81.240 bonds (distance) P-C4' energy: -76.849 flat angles C4'-P-C4' energy: -57.643 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: 10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1542.582151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.582151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.582151 (E_RNA) where: Base-Base interactions energy: -1056.868 where: short stacking energy: -459.980 Base-Backbone interact. energy: -0.958 local terms energy: -484.755909 where: bonds (distance) C4'-P energy: -96.530 bonds (distance) P-C4' energy: -94.249 flat angles C4'-P-C4' energy: -105.070 flat angles P-C4'-P energy: -59.643 tors. eta vs tors. theta energy: -129.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1380.212745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.212745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.212745 (E_RNA) where: Base-Base interactions energy: -869.951 where: short stacking energy: -414.023 Base-Backbone interact. energy: -1.478 local terms energy: -508.784600 where: bonds (distance) C4'-P energy: -92.970 bonds (distance) P-C4' energy: -97.127 flat angles C4'-P-C4' energy: -112.813 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -126.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1215.326936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.326936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.326936 (E_RNA) where: Base-Base interactions energy: -795.874 where: short stacking energy: -382.592 Base-Backbone interact. energy: -4.287 local terms energy: -415.165171 where: bonds (distance) C4'-P energy: -75.649 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -109.026 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -85.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1195.605035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.605035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.605035 (E_RNA) where: Base-Base interactions energy: -766.217 where: short stacking energy: -357.621 Base-Backbone interact. energy: 0.911 local terms energy: -430.299740 where: bonds (distance) C4'-P energy: -78.503 bonds (distance) P-C4' energy: -89.329 flat angles C4'-P-C4' energy: -90.861 flat angles P-C4'-P energy: -72.805 tors. eta vs tors. theta energy: -98.802 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: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1103.630887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.630887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.630887 (E_RNA) where: Base-Base interactions energy: -720.092 where: short stacking energy: -342.423 Base-Backbone interact. energy: 9.016 local terms energy: -392.554889 where: bonds (distance) C4'-P energy: -77.166 bonds (distance) P-C4' energy: -91.100 flat angles C4'-P-C4' energy: -84.557 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -74.997 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: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -990.873148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.873148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.873148 (E_RNA) where: Base-Base interactions energy: -619.390 where: short stacking energy: -294.549 Base-Backbone interact. energy: 1.883 local terms energy: -373.366149 where: bonds (distance) C4'-P energy: -79.606 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -80.064 flat angles P-C4'-P energy: -48.460 tors. eta vs tors. theta energy: -79.080 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: 174 Temperature: 1.200000 Total energy: -831.309642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.309642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.309642 (E_RNA) where: Base-Base interactions energy: -484.907 where: short stacking energy: -251.922 Base-Backbone interact. energy: -0.044 local terms energy: -346.358505 where: bonds (distance) C4'-P energy: -81.315 bonds (distance) P-C4' energy: -84.322 flat angles C4'-P-C4' energy: -82.560 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -49.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -728.204565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.204565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.204565 (E_RNA) where: Base-Base interactions energy: -394.309 where: short stacking energy: -206.015 Base-Backbone interact. energy: -1.123 local terms energy: -332.772199 where: bonds (distance) C4'-P energy: -83.164 bonds (distance) P-C4' energy: -81.358 flat angles C4'-P-C4' energy: -85.721 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -30.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -572.486479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.486479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.486479 (E_RNA) where: Base-Base interactions energy: -284.802 where: short stacking energy: -149.243 Base-Backbone interact. energy: -1.161 local terms energy: -286.523574 where: bonds (distance) C4'-P energy: -91.442 bonds (distance) P-C4' energy: -68.431 flat angles C4'-P-C4' energy: -61.855 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -383.977640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.977640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.977640 (E_RNA) where: Base-Base interactions energy: -131.959 where: short stacking energy: -100.079 Base-Backbone interact. energy: -1.377 local terms energy: -250.641385 where: bonds (distance) C4'-P energy: -75.974 bonds (distance) P-C4' energy: -82.286 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -36.604 tors. eta vs tors. theta energy: 6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1499.752685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.752685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.752685 (E_RNA) where: Base-Base interactions energy: -994.931 where: short stacking energy: -437.331 Base-Backbone interact. energy: -2.864 local terms energy: -501.957722 where: bonds (distance) C4'-P energy: -82.885 bonds (distance) P-C4' energy: -109.209 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: -127.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1374.841661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.841661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.841661 (E_RNA) where: Base-Base interactions energy: -901.531 where: short stacking energy: -416.710 Base-Backbone interact. energy: 1.598 local terms energy: -474.908979 where: bonds (distance) C4'-P energy: -90.911 bonds (distance) P-C4' energy: -95.098 flat angles C4'-P-C4' energy: -100.725 flat angles P-C4'-P energy: -72.959 tors. eta vs tors. theta energy: -115.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1218.965254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.965254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.965254 (E_RNA) where: Base-Base interactions energy: -807.248 where: short stacking energy: -396.362 Base-Backbone interact. energy: -1.298 local terms energy: -410.419515 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -92.372 flat angles C4'-P-C4' energy: -87.153 flat angles P-C4'-P energy: -47.574 tors. eta vs tors. theta energy: -95.139 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: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1206.110276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.110276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.110276 (E_RNA) where: Base-Base interactions energy: -768.933 where: short stacking energy: -360.923 Base-Backbone interact. energy: -1.575 local terms energy: -435.602772 where: bonds (distance) C4'-P energy: -100.599 bonds (distance) P-C4' energy: -85.866 flat angles C4'-P-C4' energy: -93.180 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -98.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1124.894110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.894110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.894110 (E_RNA) where: Base-Base interactions energy: -711.573 where: short stacking energy: -317.173 Base-Backbone interact. energy: -0.516 local terms energy: -412.804530 where: bonds (distance) C4'-P energy: -70.883 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -100.453 flat angles P-C4'-P energy: -59.140 tors. eta vs tors. theta energy: -88.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1008.106553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.106553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.106553 (E_RNA) where: Base-Base interactions energy: -609.097 where: short stacking energy: -278.846 Base-Backbone interact. energy: -1.552 local terms energy: -397.457608 where: bonds (distance) C4'-P energy: -86.284 bonds (distance) P-C4' energy: -89.379 flat angles C4'-P-C4' energy: -87.474 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: -65.410 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: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -827.794650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.794650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.794650 (E_RNA) where: Base-Base interactions energy: -502.298 where: short stacking energy: -227.670 Base-Backbone interact. energy: -0.579 local terms energy: -324.917553 where: bonds (distance) C4'-P energy: -77.249 bonds (distance) P-C4' energy: -88.601 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -32.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -606.912976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.912976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.912976 (E_RNA) where: Base-Base interactions energy: -304.113 where: short stacking energy: -164.192 Base-Backbone interact. energy: 0.371 local terms energy: -303.171692 where: bonds (distance) C4'-P energy: -77.042 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -87.066 flat angles P-C4'-P energy: -51.837 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: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -638.997088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.997088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.997088 (E_RNA) where: Base-Base interactions energy: -329.656 where: short stacking energy: -158.648 Base-Backbone interact. energy: -0.926 local terms energy: -308.414533 where: bonds (distance) C4'-P energy: -71.174 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -84.812 flat angles P-C4'-P energy: -42.613 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -411.708009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.708009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.708009 (E_RNA) where: Base-Base interactions energy: -167.301 where: short stacking energy: -112.077 Base-Backbone interact. energy: 2.562 local terms energy: -246.968673 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -90.422 flat angles P-C4'-P energy: -22.987 tors. eta vs tors. theta energy: 14.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1508.846082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.846082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.846082 (E_RNA) where: Base-Base interactions energy: -1009.334 where: short stacking energy: -434.184 Base-Backbone interact. energy: -1.702 local terms energy: -497.810409 where: bonds (distance) C4'-P energy: -97.059 bonds (distance) P-C4' energy: -98.100 flat angles C4'-P-C4' energy: -111.411 flat angles P-C4'-P energy: -75.887 tors. eta vs tors. theta energy: -115.354 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: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1398.075273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.075273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.075273 (E_RNA) where: Base-Base interactions energy: -927.193 where: short stacking energy: -439.228 Base-Backbone interact. energy: -1.018 local terms energy: -469.863934 where: bonds (distance) C4'-P energy: -86.059 bonds (distance) P-C4' energy: -93.456 flat angles C4'-P-C4' energy: -104.981 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -127.703 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: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1258.268854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.268854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.268854 (E_RNA) where: Base-Base interactions energy: -819.494 where: short stacking energy: -407.221 Base-Backbone interact. energy: -1.048 local terms energy: -437.726334 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -83.448 flat angles C4'-P-C4' energy: -97.122 flat angles P-C4'-P energy: -64.668 tors. eta vs tors. theta energy: -99.571 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: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1185.346150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.346150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.346150 (E_RNA) where: Base-Base interactions energy: -789.509 where: short stacking energy: -355.777 Base-Backbone interact. energy: 0.769 local terms energy: -396.606984 where: bonds (distance) C4'-P energy: -71.757 bonds (distance) P-C4' energy: -82.033 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -63.099 tors. eta vs tors. theta energy: -84.103 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: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1049.233270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.233270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.233270 (E_RNA) where: Base-Base interactions energy: -661.420 where: short stacking energy: -339.145 Base-Backbone interact. energy: -1.781 local terms energy: -386.032213 where: bonds (distance) C4'-P energy: -71.050 bonds (distance) P-C4' energy: -91.167 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -61.300 tors. eta vs tors. theta energy: -71.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1069.361940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.361940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.361940 (E_RNA) where: Base-Base interactions energy: -673.548 where: short stacking energy: -314.238 Base-Backbone interact. energy: -4.822 local terms energy: -390.991336 where: bonds (distance) C4'-P energy: -74.635 bonds (distance) P-C4' energy: -82.706 flat angles C4'-P-C4' energy: -86.324 flat angles P-C4'-P energy: -57.127 tors. eta vs tors. theta energy: -90.200 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: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -814.840584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.840584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.840584 (E_RNA) where: Base-Base interactions energy: -467.988 where: short stacking energy: -214.089 Base-Backbone interact. energy: 3.168 local terms energy: -350.020177 where: bonds (distance) C4'-P energy: -83.430 bonds (distance) P-C4' energy: -97.764 flat angles C4'-P-C4' energy: -100.366 flat angles P-C4'-P energy: -44.620 tors. eta vs tors. theta energy: -23.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -623.041340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.041340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.041340 (E_RNA) where: Base-Base interactions energy: -330.469 where: short stacking energy: -186.772 Base-Backbone interact. energy: -0.640 local terms energy: -291.932284 where: bonds (distance) C4'-P energy: -78.804 bonds (distance) P-C4' energy: -77.763 flat angles C4'-P-C4' energy: -66.747 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -26.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -632.038147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.038147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.038147 (E_RNA) where: Base-Base interactions energy: -346.616 where: short stacking energy: -189.718 Base-Backbone interact. energy: -2.246 local terms energy: -283.176165 where: bonds (distance) C4'-P energy: -76.519 bonds (distance) P-C4' energy: -82.744 flat angles C4'-P-C4' energy: -77.253 flat angles P-C4'-P energy: -36.046 tors. eta vs tors. theta energy: -10.613 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: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -392.658710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.658710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.658710 (E_RNA) where: Base-Base interactions energy: -159.302 where: short stacking energy: -98.681 Base-Backbone interact. energy: 15.387 local terms energy: -248.743615 where: bonds (distance) C4'-P energy: -81.307 bonds (distance) P-C4' energy: -82.884 flat angles C4'-P-C4' energy: -76.538 flat angles P-C4'-P energy: -28.550 tors. eta vs tors. theta energy: 20.535 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: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1539.349471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.349471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.349471 (E_RNA) where: Base-Base interactions energy: -1059.963 where: short stacking energy: -455.483 Base-Backbone interact. energy: 3.870 local terms energy: -483.256748 where: bonds (distance) C4'-P energy: -94.009 bonds (distance) P-C4' energy: -80.767 flat angles C4'-P-C4' energy: -108.037 flat angles P-C4'-P energy: -76.873 tors. eta vs tors. theta energy: -123.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1398.161361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.161361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.161361 (E_RNA) where: Base-Base interactions energy: -915.187 where: short stacking energy: -431.229 Base-Backbone interact. energy: 0.608 local terms energy: -483.583136 where: bonds (distance) C4'-P energy: -96.568 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -101.461 flat angles P-C4'-P energy: -66.643 tors. eta vs tors. theta energy: -123.632 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: 177 Temperature: 1.000000 Total energy: -1229.890907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.890907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.890907 (E_RNA) where: Base-Base interactions energy: -800.167 where: short stacking energy: -389.175 Base-Backbone interact. energy: 6.710 local terms energy: -436.434618 where: bonds (distance) C4'-P energy: -89.012 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -105.456 flat angles P-C4'-P energy: -59.186 tors. eta vs tors. theta energy: -94.928 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: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1188.956727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.956727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.956727 (E_RNA) where: Base-Base interactions energy: -777.590 where: short stacking energy: -357.192 Base-Backbone interact. energy: -3.647 local terms energy: -407.719763 where: bonds (distance) C4'-P energy: -81.820 bonds (distance) P-C4' energy: -98.546 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: -84.908 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1038.552598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.552598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.552598 (E_RNA) where: Base-Base interactions energy: -634.615 where: short stacking energy: -318.479 Base-Backbone interact. energy: -0.342 local terms energy: -403.595898 where: bonds (distance) C4'-P energy: -77.812 bonds (distance) P-C4' energy: -100.005 flat angles C4'-P-C4' energy: -83.092 flat angles P-C4'-P energy: -64.917 tors. eta vs tors. theta energy: -77.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1026.936508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.936508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.936508 (E_RNA) where: Base-Base interactions energy: -663.805 where: short stacking energy: -313.594 Base-Backbone interact. energy: 4.008 local terms energy: -367.139950 where: bonds (distance) C4'-P energy: -72.287 bonds (distance) P-C4' energy: -84.039 flat angles C4'-P-C4' energy: -78.201 flat angles P-C4'-P energy: -61.219 tors. eta vs tors. theta energy: -71.393 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: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -834.171042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.171042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.171042 (E_RNA) where: Base-Base interactions energy: -486.347 where: short stacking energy: -249.081 Base-Backbone interact. energy: -2.742 local terms energy: -345.081926 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -82.964 flat angles C4'-P-C4' energy: -93.083 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -41.955 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: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -672.147283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.147283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.147283 (E_RNA) where: Base-Base interactions energy: -344.820 where: short stacking energy: -184.952 Base-Backbone interact. energy: -0.915 local terms energy: -326.412476 where: bonds (distance) C4'-P energy: -86.421 bonds (distance) P-C4' energy: -70.433 flat angles C4'-P-C4' energy: -85.158 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -28.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -589.139424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.139424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.139424 (E_RNA) where: Base-Base interactions energy: -287.322 where: short stacking energy: -163.590 Base-Backbone interact. energy: 1.902 local terms energy: -303.719058 where: bonds (distance) C4'-P energy: -77.662 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -76.433 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -12.687 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: 177 Temperature: 1.350000 Total energy: -388.405069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.405069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.405069 (E_RNA) where: Base-Base interactions energy: -149.739 where: short stacking energy: -136.320 Base-Backbone interact. energy: 5.252 local terms energy: -243.918136 where: bonds (distance) C4'-P energy: -76.889 bonds (distance) P-C4' energy: -81.569 flat angles C4'-P-C4' energy: -63.817 flat angles P-C4'-P energy: -30.612 tors. eta vs tors. theta energy: 8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1537.865259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.865259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.865259 (E_RNA) where: Base-Base interactions energy: -1039.105 where: short stacking energy: -447.263 Base-Backbone interact. energy: 0.002 local terms energy: -498.762544 where: bonds (distance) C4'-P energy: -100.575 bonds (distance) P-C4' energy: -93.002 flat angles C4'-P-C4' energy: -101.643 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -123.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1404.924654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.924654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.924654 (E_RNA) where: Base-Base interactions energy: -913.600 where: short stacking energy: -436.708 Base-Backbone interact. energy: -2.652 local terms energy: -488.672841 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -89.390 flat angles C4'-P-C4' energy: -112.388 flat angles P-C4'-P energy: -74.219 tors. eta vs tors. theta energy: -122.873 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: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1248.402708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.402708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.402708 (E_RNA) where: Base-Base interactions energy: -793.564 where: short stacking energy: -379.172 Base-Backbone interact. energy: -0.051 local terms energy: -454.787176 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -86.381 flat angles C4'-P-C4' energy: -104.681 flat angles P-C4'-P energy: -74.508 tors. eta vs tors. theta energy: -100.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1188.092658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.092658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.092658 (E_RNA) where: Base-Base interactions energy: -733.541 where: short stacking energy: -364.209 Base-Backbone interact. energy: 0.262 local terms energy: -454.813714 where: bonds (distance) C4'-P energy: -95.552 bonds (distance) P-C4' energy: -101.603 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -97.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1091.131786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.131786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.131786 (E_RNA) where: Base-Base interactions energy: -683.865 where: short stacking energy: -312.655 Base-Backbone interact. energy: -2.497 local terms energy: -404.769150 where: bonds (distance) C4'-P energy: -87.238 bonds (distance) P-C4' energy: -75.570 flat angles C4'-P-C4' energy: -85.414 flat angles P-C4'-P energy: -66.333 tors. eta vs tors. theta energy: -90.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1034.958156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.958156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.958156 (E_RNA) where: Base-Base interactions energy: -646.839 where: short stacking energy: -304.203 Base-Backbone interact. energy: -0.003 local terms energy: -388.116304 where: bonds (distance) C4'-P energy: -80.849 bonds (distance) P-C4' energy: -92.880 flat angles C4'-P-C4' energy: -93.898 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -75.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -811.821080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.821080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.821080 (E_RNA) where: Base-Base interactions energy: -480.512 where: short stacking energy: -241.001 Base-Backbone interact. energy: 1.749 local terms energy: -333.058090 where: bonds (distance) C4'-P energy: -79.665 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -75.613 flat angles P-C4'-P energy: -41.368 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: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -667.521603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.521603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.521603 (E_RNA) where: Base-Base interactions energy: -354.916 where: short stacking energy: -190.583 Base-Backbone interact. energy: -3.356 local terms energy: -309.249438 where: bonds (distance) C4'-P energy: -87.335 bonds (distance) P-C4' energy: -72.175 flat angles C4'-P-C4' energy: -80.395 flat angles P-C4'-P energy: -44.564 tors. eta vs tors. theta energy: -24.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -580.972679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.972679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.972679 (E_RNA) where: Base-Base interactions energy: -297.238 where: short stacking energy: -181.312 Base-Backbone interact. energy: -0.011 local terms energy: -283.723673 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -89.882 flat angles C4'-P-C4' energy: -72.326 flat angles P-C4'-P energy: -45.990 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -362.066633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.066633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.066633 (E_RNA) where: Base-Base interactions energy: -114.063 where: short stacking energy: -97.073 Base-Backbone interact. energy: -1.564 local terms energy: -246.439955 where: bonds (distance) C4'-P energy: -72.734 bonds (distance) P-C4' energy: -68.486 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: 11.089 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: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1525.171609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.171609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.171609 (E_RNA) where: Base-Base interactions energy: -1043.176 where: short stacking energy: -454.377 Base-Backbone interact. energy: 0.010 local terms energy: -482.005344 where: bonds (distance) C4'-P energy: -97.412 bonds (distance) P-C4' energy: -101.978 flat angles C4'-P-C4' energy: -94.737 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -123.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1388.391309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.391309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.391309 (E_RNA) where: Base-Base interactions energy: -881.139 where: short stacking energy: -423.628 Base-Backbone interact. energy: -1.243 local terms energy: -506.009609 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -95.025 flat angles C4'-P-C4' energy: -107.521 flat angles P-C4'-P energy: -84.630 tors. eta vs tors. theta energy: -128.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1253.609327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.609327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.609327 (E_RNA) where: Base-Base interactions energy: -809.764 where: short stacking energy: -389.665 Base-Backbone interact. energy: -2.748 local terms energy: -441.097545 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -93.892 flat angles C4'-P-C4' energy: -87.315 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -103.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1225.696987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.696987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.696987 (E_RNA) where: Base-Base interactions energy: -777.336 where: short stacking energy: -356.695 Base-Backbone interact. energy: 0.908 local terms energy: -449.269217 where: bonds (distance) C4'-P energy: -84.723 bonds (distance) P-C4' energy: -91.325 flat angles C4'-P-C4' energy: -99.639 flat angles P-C4'-P energy: -68.832 tors. eta vs tors. theta energy: -104.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1069.540352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.540352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.540352 (E_RNA) where: Base-Base interactions energy: -669.733 where: short stacking energy: -320.402 Base-Backbone interact. energy: -0.474 local terms energy: -399.332769 where: bonds (distance) C4'-P energy: -73.827 bonds (distance) P-C4' energy: -96.986 flat angles C4'-P-C4' energy: -101.412 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -75.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -986.008349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.008349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.008349 (E_RNA) where: Base-Base interactions energy: -593.140 where: short stacking energy: -267.474 Base-Backbone interact. energy: -0.650 local terms energy: -392.218011 where: bonds (distance) C4'-P energy: -72.355 bonds (distance) P-C4' energy: -93.667 flat angles C4'-P-C4' energy: -91.910 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: -73.546 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: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -873.907752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.907752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.907752 (E_RNA) where: Base-Base interactions energy: -487.983 where: short stacking energy: -254.285 Base-Backbone interact. energy: -1.470 local terms energy: -384.454868 where: bonds (distance) C4'-P energy: -94.493 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -95.673 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -50.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -703.013838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.013838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.013838 (E_RNA) where: Base-Base interactions energy: -383.457 where: short stacking energy: -192.016 Base-Backbone interact. energy: 2.531 local terms energy: -322.087793 where: bonds (distance) C4'-P energy: -69.409 bonds (distance) P-C4' energy: -94.341 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -42.114 tors. eta vs tors. theta energy: -18.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -568.932493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.932493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.932493 (E_RNA) where: Base-Base interactions energy: -296.820 where: short stacking energy: -155.303 Base-Backbone interact. energy: -1.018 local terms energy: -271.094056 where: bonds (distance) C4'-P energy: -77.884 bonds (distance) P-C4' energy: -64.622 flat angles C4'-P-C4' energy: -60.509 flat angles P-C4'-P energy: -52.261 tors. eta vs tors. theta energy: -15.819 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: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -384.591949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.591949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.591949 (E_RNA) where: Base-Base interactions energy: -140.900 where: short stacking energy: -109.120 Base-Backbone interact. energy: 2.028 local terms energy: -245.720341 where: bonds (distance) C4'-P energy: -73.125 bonds (distance) P-C4' energy: -78.937 flat angles C4'-P-C4' energy: -59.898 flat angles P-C4'-P energy: -36.799 tors. eta vs tors. theta energy: 3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1535.819543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.819543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.819543 (E_RNA) where: Base-Base interactions energy: -1052.408 where: short stacking energy: -469.124 Base-Backbone interact. energy: -2.607 local terms energy: -480.804837 where: bonds (distance) C4'-P energy: -83.915 bonds (distance) P-C4' energy: -87.323 flat angles C4'-P-C4' energy: -103.646 flat angles P-C4'-P energy: -73.337 tors. eta vs tors. theta energy: -132.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1367.920893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.920893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.920893 (E_RNA) where: Base-Base interactions energy: -869.243 where: short stacking energy: -418.673 Base-Backbone interact. energy: -1.142 local terms energy: -497.536395 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -103.372 flat angles C4'-P-C4' energy: -102.533 flat angles P-C4'-P energy: -74.401 tors. eta vs tors. theta energy: -120.280 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: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1300.027249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.027249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.027249 (E_RNA) where: Base-Base interactions energy: -858.627 where: short stacking energy: -396.344 Base-Backbone interact. energy: -1.163 local terms energy: -440.237496 where: bonds (distance) C4'-P energy: -90.166 bonds (distance) P-C4' energy: -89.992 flat angles C4'-P-C4' energy: -89.995 flat angles P-C4'-P energy: -64.946 tors. eta vs tors. theta energy: -105.139 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: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1162.742340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.742340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.742340 (E_RNA) where: Base-Base interactions energy: -753.772 where: short stacking energy: -331.884 Base-Backbone interact. energy: -0.010 local terms energy: -408.959728 where: bonds (distance) C4'-P energy: -82.765 bonds (distance) P-C4' energy: -94.505 flat angles C4'-P-C4' energy: -94.506 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -67.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1095.768273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.768273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.768273 (E_RNA) where: Base-Base interactions energy: -695.679 where: short stacking energy: -352.293 Base-Backbone interact. energy: -0.757 local terms energy: -399.331733 where: bonds (distance) C4'-P energy: -90.160 bonds (distance) P-C4' energy: -67.872 flat angles C4'-P-C4' energy: -89.520 flat angles P-C4'-P energy: -69.704 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: 180 Temperature: 1.150000 Total energy: -1017.778336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.778336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.778336 (E_RNA) where: Base-Base interactions energy: -632.453 where: short stacking energy: -291.729 Base-Backbone interact. energy: -2.669 local terms energy: -382.656371 where: bonds (distance) C4'-P energy: -81.278 bonds (distance) P-C4' energy: -89.884 flat angles C4'-P-C4' energy: -88.395 flat angles P-C4'-P energy: -41.429 tors. eta vs tors. theta energy: -81.670 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: 180 Temperature: 1.200000 Total energy: -847.239666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.239666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.239666 (E_RNA) where: Base-Base interactions energy: -497.635 where: short stacking energy: -238.750 Base-Backbone interact. energy: 0.026 local terms energy: -349.630812 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -96.488 flat angles C4'-P-C4' energy: -79.083 flat angles P-C4'-P energy: -53.601 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: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -660.333785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.333785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.333785 (E_RNA) where: Base-Base interactions energy: -354.456 where: short stacking energy: -196.628 Base-Backbone interact. energy: 0.543 local terms energy: -306.421373 where: bonds (distance) C4'-P energy: -81.405 bonds (distance) P-C4' energy: -86.859 flat angles C4'-P-C4' energy: -68.755 flat angles P-C4'-P energy: -45.310 tors. eta vs tors. theta energy: -24.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -572.386146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.386146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.386146 (E_RNA) where: Base-Base interactions energy: -296.054 where: short stacking energy: -166.401 Base-Backbone interact. energy: -1.714 local terms energy: -274.618173 where: bonds (distance) C4'-P energy: -78.778 bonds (distance) P-C4' energy: -91.257 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -27.961 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -399.063164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.063164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.063164 (E_RNA) where: Base-Base interactions energy: -152.622 where: short stacking energy: -123.992 Base-Backbone interact. energy: -0.173 local terms energy: -246.267863 where: bonds (distance) C4'-P energy: -69.334 bonds (distance) P-C4' energy: -93.176 flat angles C4'-P-C4' energy: -66.332 flat angles P-C4'-P energy: -22.568 tors. eta vs tors. theta energy: 5.143 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: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1534.328227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.328227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.328227 (E_RNA) where: Base-Base interactions energy: -1040.008 where: short stacking energy: -459.465 Base-Backbone interact. energy: -1.436 local terms energy: -492.884266 where: bonds (distance) C4'-P energy: -91.420 bonds (distance) P-C4' energy: -90.267 flat angles C4'-P-C4' energy: -110.324 flat angles P-C4'-P energy: -70.435 tors. eta vs tors. theta energy: -130.438 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: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1397.207791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.207791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.207791 (E_RNA) where: Base-Base interactions energy: -901.130 where: short stacking energy: -436.007 Base-Backbone interact. energy: -0.767 local terms energy: -495.310676 where: bonds (distance) C4'-P energy: -99.817 bonds (distance) P-C4' energy: -90.527 flat angles C4'-P-C4' energy: -109.711 flat angles P-C4'-P energy: -68.527 tors. eta vs tors. theta energy: -126.729 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: 181 Temperature: 1.000000 Total energy: -1303.491223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.491223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.491223 (E_RNA) where: Base-Base interactions energy: -828.538 where: short stacking energy: -397.421 Base-Backbone interact. energy: -1.049 local terms energy: -473.903565 where: bonds (distance) C4'-P energy: -85.246 bonds (distance) P-C4' energy: -91.991 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -75.529 tors. eta vs tors. theta energy: -112.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1126.213683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.213683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.213683 (E_RNA) where: Base-Base interactions energy: -726.003 where: short stacking energy: -311.780 Base-Backbone interact. energy: -1.202 local terms energy: -399.008836 where: bonds (distance) C4'-P energy: -88.373 bonds (distance) P-C4' energy: -92.656 flat angles C4'-P-C4' energy: -83.932 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -76.770 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: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1075.416752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.416752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.416752 (E_RNA) where: Base-Base interactions energy: -707.934 where: short stacking energy: -339.955 Base-Backbone interact. energy: -1.721 local terms energy: -365.762224 where: bonds (distance) C4'-P energy: -68.523 bonds (distance) P-C4' energy: -76.171 flat angles C4'-P-C4' energy: -89.358 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: -81.519 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: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1000.212818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.212818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.212818 (E_RNA) where: Base-Base interactions energy: -637.860 where: short stacking energy: -299.920 Base-Backbone interact. energy: -0.438 local terms energy: -361.914968 where: bonds (distance) C4'-P energy: -73.326 bonds (distance) P-C4' energy: -82.766 flat angles C4'-P-C4' energy: -92.730 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -69.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -896.015487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.015487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.015487 (E_RNA) where: Base-Base interactions energy: -538.566 where: short stacking energy: -269.870 Base-Backbone interact. energy: 4.700 local terms energy: -362.149102 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -90.332 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -57.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -644.989284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.989284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.989284 (E_RNA) where: Base-Base interactions energy: -330.361 where: short stacking energy: -184.208 Base-Backbone interact. energy: 0.583 local terms energy: -315.211812 where: bonds (distance) C4'-P energy: -73.553 bonds (distance) P-C4' energy: -92.862 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -22.594 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: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -568.812255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.812255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.812255 (E_RNA) where: Base-Base interactions energy: -276.739 where: short stacking energy: -144.928 Base-Backbone interact. energy: -3.452 local terms energy: -288.621423 where: bonds (distance) C4'-P energy: -84.492 bonds (distance) P-C4' energy: -84.005 flat angles C4'-P-C4' energy: -74.332 flat angles P-C4'-P energy: -48.269 tors. eta vs tors. theta energy: 2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -390.280887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.280887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.280887 (E_RNA) where: Base-Base interactions energy: -136.620 where: short stacking energy: -116.823 Base-Backbone interact. energy: 3.176 local terms energy: -256.837348 where: bonds (distance) C4'-P energy: -76.508 bonds (distance) P-C4' energy: -81.910 flat angles C4'-P-C4' energy: -74.249 flat angles P-C4'-P energy: -38.184 tors. eta vs tors. theta energy: 14.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1500.967572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.967572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.967572 (E_RNA) where: Base-Base interactions energy: -1007.942 where: short stacking energy: -455.673 Base-Backbone interact. energy: -1.548 local terms energy: -491.477947 where: bonds (distance) C4'-P energy: -98.989 bonds (distance) P-C4' energy: -94.635 flat angles C4'-P-C4' energy: -106.777 flat angles P-C4'-P energy: -68.944 tors. eta vs tors. theta energy: -122.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1401.343991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.343991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.343991 (E_RNA) where: Base-Base interactions energy: -919.894 where: short stacking energy: -453.786 Base-Backbone interact. energy: -0.565 local terms energy: -480.885300 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -93.426 flat angles C4'-P-C4' energy: -100.290 flat angles P-C4'-P energy: -79.505 tors. eta vs tors. theta energy: -125.777 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: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1312.579899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.579899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.579899 (E_RNA) where: Base-Base interactions energy: -843.967 where: short stacking energy: -377.682 Base-Backbone interact. energy: -1.944 local terms energy: -466.668679 where: bonds (distance) C4'-P energy: -77.529 bonds (distance) P-C4' energy: -103.656 flat angles C4'-P-C4' energy: -110.024 flat angles P-C4'-P energy: -69.274 tors. eta vs tors. theta energy: -106.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1199.154319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.154319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.154319 (E_RNA) where: Base-Base interactions energy: -756.138 where: short stacking energy: -344.777 Base-Backbone interact. energy: -2.518 local terms energy: -440.498009 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -101.383 flat angles C4'-P-C4' energy: -102.593 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -83.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1079.438187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.438187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.438187 (E_RNA) where: Base-Base interactions energy: -677.195 where: short stacking energy: -326.283 Base-Backbone interact. energy: -0.620 local terms energy: -401.623304 where: bonds (distance) C4'-P energy: -79.721 bonds (distance) P-C4' energy: -85.361 flat angles C4'-P-C4' energy: -95.869 flat angles P-C4'-P energy: -57.607 tors. eta vs tors. theta energy: -83.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -988.067296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.067296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.067296 (E_RNA) where: Base-Base interactions energy: -625.352 where: short stacking energy: -290.206 Base-Backbone interact. energy: -1.767 local terms energy: -360.948516 where: bonds (distance) C4'-P energy: -93.041 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -79.188 flat angles P-C4'-P energy: -40.588 tors. eta vs tors. theta energy: -64.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -818.255331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.255331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.255331 (E_RNA) where: Base-Base interactions energy: -477.198 where: short stacking energy: -238.804 Base-Backbone interact. energy: -1.133 local terms energy: -339.923511 where: bonds (distance) C4'-P energy: -91.813 bonds (distance) P-C4' energy: -89.037 flat angles C4'-P-C4' energy: -81.504 flat angles P-C4'-P energy: -36.485 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: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -683.438968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.438968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.438968 (E_RNA) where: Base-Base interactions energy: -376.321 where: short stacking energy: -216.283 Base-Backbone interact. energy: -0.136 local terms energy: -306.982169 where: bonds (distance) C4'-P energy: -74.395 bonds (distance) P-C4' energy: -95.282 flat angles C4'-P-C4' energy: -69.865 flat angles P-C4'-P energy: -39.501 tors. eta vs tors. theta energy: -27.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -605.509121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.509121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.509121 (E_RNA) where: Base-Base interactions energy: -313.971 where: short stacking energy: -181.505 Base-Backbone interact. energy: 0.382 local terms energy: -291.920094 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -84.177 flat angles C4'-P-C4' energy: -72.134 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -19.173 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -388.851820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.851820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.851820 (E_RNA) where: Base-Base interactions energy: -137.933 where: short stacking energy: -124.199 Base-Backbone interact. energy: 2.118 local terms energy: -253.036151 where: bonds (distance) C4'-P energy: -59.145 bonds (distance) P-C4' energy: -93.375 flat angles C4'-P-C4' energy: -65.158 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: 10.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1480.729021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.729021 (E_RNA) where: Base-Base interactions energy: -1006.507 where: short stacking energy: -432.217 Base-Backbone interact. energy: -5.781 local terms energy: -468.441617 where: bonds (distance) C4'-P energy: -98.510 bonds (distance) P-C4' energy: -100.538 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -116.148 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: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1393.538257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.538257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.538257 (E_RNA) where: Base-Base interactions energy: -911.752 where: short stacking energy: -457.745 Base-Backbone interact. energy: -0.296 local terms energy: -481.490536 where: bonds (distance) C4'-P energy: -92.998 bonds (distance) P-C4' energy: -99.755 flat angles C4'-P-C4' energy: -100.226 flat angles P-C4'-P energy: -68.534 tors. eta vs tors. theta energy: -119.978 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: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1300.211754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.211754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.211754 (E_RNA) where: Base-Base interactions energy: -848.680 where: short stacking energy: -381.836 Base-Backbone interact. energy: 4.348 local terms energy: -455.879649 where: bonds (distance) C4'-P energy: -87.258 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -97.363 flat angles P-C4'-P energy: -73.152 tors. eta vs tors. theta energy: -104.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1178.049708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.049708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.049708 (E_RNA) where: Base-Base interactions energy: -738.432 where: short stacking energy: -347.061 Base-Backbone interact. energy: -0.641 local terms energy: -438.977469 where: bonds (distance) C4'-P energy: -97.547 bonds (distance) P-C4' energy: -91.334 flat angles C4'-P-C4' energy: -93.177 flat angles P-C4'-P energy: -64.300 tors. eta vs tors. theta energy: -92.620 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: 183 Temperature: 1.100000 Total energy: -1055.396786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.396786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.396786 (E_RNA) where: Base-Base interactions energy: -656.576 where: short stacking energy: -309.427 Base-Backbone interact. energy: -3.431 local terms energy: -395.389591 where: bonds (distance) C4'-P energy: -72.781 bonds (distance) P-C4' energy: -90.452 flat angles C4'-P-C4' energy: -95.970 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -77.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1018.048853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.048853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.048853 (E_RNA) where: Base-Base interactions energy: -637.067 where: short stacking energy: -307.404 Base-Backbone interact. energy: -0.912 local terms energy: -380.069591 where: bonds (distance) C4'-P energy: -83.614 bonds (distance) P-C4' energy: -75.314 flat angles C4'-P-C4' energy: -82.783 flat angles P-C4'-P energy: -61.197 tors. eta vs tors. theta energy: -77.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -801.648206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.648206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.648206 (E_RNA) where: Base-Base interactions energy: -467.806 where: short stacking energy: -251.763 Base-Backbone interact. energy: -1.646 local terms energy: -332.196321 where: bonds (distance) C4'-P energy: -84.721 bonds (distance) P-C4' energy: -75.917 flat angles C4'-P-C4' energy: -77.913 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -41.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -690.357753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.357753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.357753 (E_RNA) where: Base-Base interactions energy: -375.649 where: short stacking energy: -195.830 Base-Backbone interact. energy: 0.794 local terms energy: -315.502736 where: bonds (distance) C4'-P energy: -78.098 bonds (distance) P-C4' energy: -96.193 flat angles C4'-P-C4' energy: -70.753 flat angles P-C4'-P energy: -48.319 tors. eta vs tors. theta energy: -22.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -632.772675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.772675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.772675 (E_RNA) where: Base-Base interactions energy: -344.993 where: short stacking energy: -198.683 Base-Backbone interact. energy: -1.247 local terms energy: -286.531996 where: bonds (distance) C4'-P energy: -86.225 bonds (distance) P-C4' energy: -89.877 flat angles C4'-P-C4' energy: -54.784 flat angles P-C4'-P energy: -36.843 tors. eta vs tors. theta energy: -18.803 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: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -373.498915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.498915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.498915 (E_RNA) where: Base-Base interactions energy: -131.427 where: short stacking energy: -107.558 Base-Backbone interact. energy: -0.628 local terms energy: -241.443458 where: bonds (distance) C4'-P energy: -74.467 bonds (distance) P-C4' energy: -78.923 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -28.449 tors. eta vs tors. theta energy: 12.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1501.200461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.200461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.200461 (E_RNA) where: Base-Base interactions energy: -1002.079 where: short stacking energy: -424.704 Base-Backbone interact. energy: -2.249 local terms energy: -496.872778 where: bonds (distance) C4'-P energy: -86.174 bonds (distance) P-C4' energy: -93.141 flat angles C4'-P-C4' energy: -114.976 flat angles P-C4'-P energy: -78.993 tors. eta vs tors. theta energy: -123.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1398.017095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.017095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.017095 (E_RNA) where: Base-Base interactions energy: -904.145 where: short stacking energy: -443.753 Base-Backbone interact. energy: -2.004 local terms energy: -491.868842 where: bonds (distance) C4'-P energy: -97.076 bonds (distance) P-C4' energy: -88.061 flat angles C4'-P-C4' energy: -102.056 flat angles P-C4'-P energy: -80.380 tors. eta vs tors. theta energy: -124.297 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: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1317.380965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.380965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.380965 (E_RNA) where: Base-Base interactions energy: -861.195 where: short stacking energy: -382.108 Base-Backbone interact. energy: -3.476 local terms energy: -452.710435 where: bonds (distance) C4'-P energy: -95.885 bonds (distance) P-C4' energy: -95.149 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -111.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1183.465313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.465313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.465313 (E_RNA) where: Base-Base interactions energy: -737.985 where: short stacking energy: -331.037 Base-Backbone interact. energy: -0.763 local terms energy: -444.717512 where: bonds (distance) C4'-P energy: -81.838 bonds (distance) P-C4' energy: -101.498 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -71.284 tors. eta vs tors. theta energy: -98.518 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: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1046.550735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.550735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.550735 (E_RNA) where: Base-Base interactions energy: -664.476 where: short stacking energy: -304.267 Base-Backbone interact. energy: -3.466 local terms energy: -378.609363 where: bonds (distance) C4'-P energy: -86.612 bonds (distance) P-C4' energy: -88.975 flat angles C4'-P-C4' energy: -85.565 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: -68.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1001.709912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.709912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.709912 (E_RNA) where: Base-Base interactions energy: -627.744 where: short stacking energy: -295.083 Base-Backbone interact. energy: 0.056 local terms energy: -374.021824 where: bonds (distance) C4'-P energy: -85.581 bonds (distance) P-C4' energy: -77.535 flat angles C4'-P-C4' energy: -99.563 flat angles P-C4'-P energy: -46.026 tors. eta vs tors. theta energy: -65.317 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: 184 Temperature: 1.200000 Total energy: -808.795106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.795106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.795106 (E_RNA) where: Base-Base interactions energy: -472.208 where: short stacking energy: -267.982 Base-Backbone interact. energy: -0.413 local terms energy: -336.173826 where: bonds (distance) C4'-P energy: -75.171 bonds (distance) P-C4' energy: -86.110 flat angles C4'-P-C4' energy: -78.579 flat angles P-C4'-P energy: -53.436 tors. eta vs tors. theta energy: -42.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -706.410249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.410249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.410249 (E_RNA) where: Base-Base interactions energy: -393.450 where: short stacking energy: -210.936 Base-Backbone interact. energy: 0.244 local terms energy: -313.203541 where: bonds (distance) C4'-P energy: -78.481 bonds (distance) P-C4' energy: -77.672 flat angles C4'-P-C4' energy: -85.940 flat angles P-C4'-P energy: -51.678 tors. eta vs tors. theta energy: -19.433 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: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -596.768024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.768024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.768024 (E_RNA) where: Base-Base interactions energy: -297.891 where: short stacking energy: -165.186 Base-Backbone interact. energy: -1.411 local terms energy: -297.466109 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -100.306 flat angles C4'-P-C4' energy: -91.052 flat angles P-C4'-P energy: -32.145 tors. eta vs tors. theta energy: -12.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -379.779100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.779100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.779100 (E_RNA) where: Base-Base interactions energy: -117.750 where: short stacking energy: -88.126 Base-Backbone interact. energy: -2.084 local terms energy: -259.945536 where: bonds (distance) C4'-P energy: -79.592 bonds (distance) P-C4' energy: -94.106 flat angles C4'-P-C4' energy: -65.811 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: 14.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1498.094427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.094427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.094427 (E_RNA) where: Base-Base interactions energy: -989.798 where: short stacking energy: -444.643 Base-Backbone interact. energy: -0.960 local terms energy: -507.336597 where: bonds (distance) C4'-P energy: -102.582 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -100.940 flat angles P-C4'-P energy: -71.076 tors. eta vs tors. theta energy: -124.498 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: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1377.078104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.078104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.078104 (E_RNA) where: Base-Base interactions energy: -882.294 where: short stacking energy: -445.525 Base-Backbone interact. energy: 0.167 local terms energy: -494.951305 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -106.841 flat angles C4'-P-C4' energy: -110.998 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: -129.209 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: 185 Temperature: 1.000000 Total energy: -1353.435307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.435307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.435307 (E_RNA) where: Base-Base interactions energy: -903.514 where: short stacking energy: -403.630 Base-Backbone interact. energy: -1.766 local terms energy: -448.155208 where: bonds (distance) C4'-P energy: -82.804 bonds (distance) P-C4' energy: -92.013 flat angles C4'-P-C4' energy: -98.257 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -119.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1212.359540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.359540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.359540 (E_RNA) where: Base-Base interactions energy: -784.540 where: short stacking energy: -365.956 Base-Backbone interact. energy: -4.144 local terms energy: -423.675902 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -88.330 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -94.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1084.668126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.668126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.668126 (E_RNA) where: Base-Base interactions energy: -680.392 where: short stacking energy: -295.073 Base-Backbone interact. energy: 1.518 local terms energy: -405.794132 where: bonds (distance) C4'-P energy: -87.002 bonds (distance) P-C4' energy: -96.163 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -61.960 tors. eta vs tors. theta energy: -66.753 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: 185 Temperature: 1.150000 Total energy: -958.566927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.566927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.566927 (E_RNA) where: Base-Base interactions energy: -570.461 where: short stacking energy: -293.109 Base-Backbone interact. energy: 2.346 local terms energy: -390.451717 where: bonds (distance) C4'-P energy: -95.754 bonds (distance) P-C4' energy: -76.830 flat angles C4'-P-C4' energy: -93.920 flat angles P-C4'-P energy: -54.749 tors. eta vs tors. theta energy: -69.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -776.769353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.769353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.769353 (E_RNA) where: Base-Base interactions energy: -438.452 where: short stacking energy: -220.427 Base-Backbone interact. energy: -2.483 local terms energy: -335.834126 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -94.783 flat angles C4'-P-C4' energy: -81.270 flat angles P-C4'-P energy: -59.373 tors. eta vs tors. theta energy: -31.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -649.874488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.874488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.874488 (E_RNA) where: Base-Base interactions energy: -338.546 where: short stacking energy: -177.416 Base-Backbone interact. energy: -3.157 local terms energy: -308.171388 where: bonds (distance) C4'-P energy: -85.976 bonds (distance) P-C4' energy: -91.581 flat angles C4'-P-C4' energy: -68.214 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -20.761 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: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -663.415729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.415729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.415729 (E_RNA) where: Base-Base interactions energy: -348.868 where: short stacking energy: -188.819 Base-Backbone interact. energy: -2.415 local terms energy: -312.133596 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -78.303 flat angles P-C4'-P energy: -53.378 tors. eta vs tors. theta energy: -26.295 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: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -390.632992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.632992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.632992 (E_RNA) where: Base-Base interactions energy: -167.454 where: short stacking energy: -124.365 Base-Backbone interact. energy: 1.050 local terms energy: -224.229060 where: bonds (distance) C4'-P energy: -86.556 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -19.341 tors. eta vs tors. theta energy: 20.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1477.071289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.071289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.071289 (E_RNA) where: Base-Base interactions energy: -991.451 where: short stacking energy: -417.125 Base-Backbone interact. energy: -4.490 local terms energy: -481.130515 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -93.851 flat angles C4'-P-C4' energy: -98.078 flat angles P-C4'-P energy: -69.170 tors. eta vs tors. theta energy: -115.825 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: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1417.491167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.491167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.491167 (E_RNA) where: Base-Base interactions energy: -919.020 where: short stacking energy: -450.641 Base-Backbone interact. energy: 1.045 local terms energy: -499.516590 where: bonds (distance) C4'-P energy: -101.389 bonds (distance) P-C4' energy: -94.192 flat angles C4'-P-C4' energy: -112.692 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -124.691 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: 186 Temperature: 1.000000 Total energy: -1319.590354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.590354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.590354 (E_RNA) where: Base-Base interactions energy: -852.037 where: short stacking energy: -390.971 Base-Backbone interact. energy: -0.882 local terms energy: -466.670508 where: bonds (distance) C4'-P energy: -102.318 bonds (distance) P-C4' energy: -92.444 flat angles C4'-P-C4' energy: -101.816 flat angles P-C4'-P energy: -63.297 tors. eta vs tors. theta energy: -106.796 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: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1207.011738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.011738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.011738 (E_RNA) where: Base-Base interactions energy: -783.779 where: short stacking energy: -364.480 Base-Backbone interact. energy: 0.290 local terms energy: -423.522669 where: bonds (distance) C4'-P energy: -70.798 bonds (distance) P-C4' energy: -102.572 flat angles C4'-P-C4' energy: -92.200 flat angles P-C4'-P energy: -65.910 tors. eta vs tors. theta energy: -92.043 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: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1092.139193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.139193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.139193 (E_RNA) where: Base-Base interactions energy: -704.098 where: short stacking energy: -329.480 Base-Backbone interact. energy: -0.501 local terms energy: -387.540055 where: bonds (distance) C4'-P energy: -81.304 bonds (distance) P-C4' energy: -83.946 flat angles C4'-P-C4' energy: -88.196 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -72.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -941.720200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.720200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.720200 (E_RNA) where: Base-Base interactions energy: -560.644 where: short stacking energy: -271.066 Base-Backbone interact. energy: 1.695 local terms energy: -382.772015 where: bonds (distance) C4'-P energy: -94.690 bonds (distance) P-C4' energy: -64.504 flat angles C4'-P-C4' energy: -87.610 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -64.983 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: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -783.005502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.005502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.005502 (E_RNA) where: Base-Base interactions energy: -461.831 where: short stacking energy: -237.105 Base-Backbone interact. energy: -3.189 local terms energy: -317.985533 where: bonds (distance) C4'-P energy: -92.432 bonds (distance) P-C4' energy: -78.989 flat angles C4'-P-C4' energy: -74.413 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -25.310 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: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -628.763222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.763222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.763222 (E_RNA) where: Base-Base interactions energy: -322.404 where: short stacking energy: -176.901 Base-Backbone interact. energy: 7.459 local terms energy: -313.818680 where: bonds (distance) C4'-P energy: -84.687 bonds (distance) P-C4' energy: -79.654 flat angles C4'-P-C4' energy: -77.983 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -662.349796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.349796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.349796 (E_RNA) where: Base-Base interactions energy: -347.789 where: short stacking energy: -179.845 Base-Backbone interact. energy: -2.372 local terms energy: -312.189403 where: bonds (distance) C4'-P energy: -78.737 bonds (distance) P-C4' energy: -80.674 flat angles C4'-P-C4' energy: -75.236 flat angles P-C4'-P energy: -50.923 tors. eta vs tors. theta energy: -26.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -382.790581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.790581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.790581 (E_RNA) where: Base-Base interactions energy: -151.056 where: short stacking energy: -114.898 Base-Backbone interact. energy: -0.900 local terms energy: -230.834597 where: bonds (distance) C4'-P energy: -63.753 bonds (distance) P-C4' energy: -87.827 flat angles C4'-P-C4' energy: -68.144 flat angles P-C4'-P energy: -19.307 tors. eta vs tors. theta energy: 8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1490.274974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.274974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.274974 (E_RNA) where: Base-Base interactions energy: -1000.014 where: short stacking energy: -431.053 Base-Backbone interact. energy: -4.002 local terms energy: -486.258972 where: bonds (distance) C4'-P energy: -96.639 bonds (distance) P-C4' energy: -98.424 flat angles C4'-P-C4' energy: -99.256 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -120.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1395.599941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.599941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.599941 (E_RNA) where: Base-Base interactions energy: -900.518 where: short stacking energy: -422.958 Base-Backbone interact. energy: -0.648 local terms energy: -494.433344 where: bonds (distance) C4'-P energy: -97.425 bonds (distance) P-C4' energy: -92.022 flat angles C4'-P-C4' energy: -103.620 flat angles P-C4'-P energy: -71.761 tors. eta vs tors. theta energy: -129.606 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: 187 Temperature: 1.000000 Total energy: -1347.250322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.250322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.250322 (E_RNA) where: Base-Base interactions energy: -884.024 where: short stacking energy: -401.811 Base-Backbone interact. energy: -2.483 local terms energy: -460.743945 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -98.315 flat angles C4'-P-C4' energy: -90.753 flat angles P-C4'-P energy: -62.729 tors. eta vs tors. theta energy: -114.908 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: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1216.604606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.604606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.604606 (E_RNA) where: Base-Base interactions energy: -800.748 where: short stacking energy: -322.377 Base-Backbone interact. energy: -0.471 local terms energy: -415.385502 where: bonds (distance) C4'-P energy: -86.398 bonds (distance) P-C4' energy: -98.782 flat angles C4'-P-C4' energy: -92.867 flat angles P-C4'-P energy: -55.847 tors. eta vs tors. theta energy: -81.492 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: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1097.891057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.891057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.891057 (E_RNA) where: Base-Base interactions energy: -733.170 where: short stacking energy: -331.747 Base-Backbone interact. energy: -0.647 local terms energy: -364.074127 where: bonds (distance) C4'-P energy: -70.181 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -89.301 flat angles P-C4'-P energy: -52.011 tors. eta vs tors. theta energy: -71.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -984.163113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.163113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.163113 (E_RNA) where: Base-Base interactions energy: -613.541 where: short stacking energy: -289.941 Base-Backbone interact. energy: -0.789 local terms energy: -369.833190 where: bonds (distance) C4'-P energy: -77.244 bonds (distance) P-C4' energy: -88.486 flat angles C4'-P-C4' energy: -84.004 flat angles P-C4'-P energy: -52.807 tors. eta vs tors. theta energy: -67.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -761.876306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.876306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.876306 (E_RNA) where: Base-Base interactions energy: -437.220 where: short stacking energy: -207.539 Base-Backbone interact. energy: -1.075 local terms energy: -323.581856 where: bonds (distance) C4'-P energy: -81.760 bonds (distance) P-C4' energy: -84.738 flat angles C4'-P-C4' energy: -85.666 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -28.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -684.969051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.969051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.969051 (E_RNA) where: Base-Base interactions energy: -360.759 where: short stacking energy: -184.680 Base-Backbone interact. energy: 1.969 local terms energy: -326.178245 where: bonds (distance) C4'-P energy: -96.333 bonds (distance) P-C4' energy: -78.684 flat angles C4'-P-C4' energy: -81.406 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: -10.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -590.029596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.029596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.029596 (E_RNA) where: Base-Base interactions energy: -306.894 where: short stacking energy: -157.891 Base-Backbone interact. energy: -1.198 local terms energy: -281.937563 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -79.587 flat angles C4'-P-C4' energy: -70.809 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -407.321596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.321596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.321596 (E_RNA) where: Base-Base interactions energy: -175.275 where: short stacking energy: -137.344 Base-Backbone interact. energy: 3.129 local terms energy: -235.175375 where: bonds (distance) C4'-P energy: -82.654 bonds (distance) P-C4' energy: -69.679 flat angles C4'-P-C4' energy: -80.698 flat angles P-C4'-P energy: -13.301 tors. eta vs tors. theta energy: 11.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1500.421666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.421666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.421666 (E_RNA) where: Base-Base interactions energy: -1001.743 where: short stacking energy: -444.488 Base-Backbone interact. energy: -1.852 local terms energy: -496.827260 where: bonds (distance) C4'-P energy: -93.617 bonds (distance) P-C4' energy: -101.635 flat angles C4'-P-C4' energy: -105.579 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -121.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1360.760485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.760485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.760485 (E_RNA) where: Base-Base interactions energy: -866.944 where: short stacking energy: -425.202 Base-Backbone interact. energy: -2.026 local terms energy: -491.790659 where: bonds (distance) C4'-P energy: -100.136 bonds (distance) P-C4' energy: -98.446 flat angles C4'-P-C4' energy: -105.401 flat angles P-C4'-P energy: -69.082 tors. eta vs tors. theta energy: -118.725 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: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1325.206314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.206314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.206314 (E_RNA) where: Base-Base interactions energy: -851.531 where: short stacking energy: -390.127 Base-Backbone interact. energy: -2.891 local terms energy: -470.784157 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -100.886 flat angles C4'-P-C4' energy: -90.307 flat angles P-C4'-P energy: -77.505 tors. eta vs tors. theta energy: -111.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1204.839947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.839947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.839947 (E_RNA) where: Base-Base interactions energy: -774.543 where: short stacking energy: -348.446 Base-Backbone interact. energy: -2.818 local terms energy: -427.478756 where: bonds (distance) C4'-P energy: -88.645 bonds (distance) P-C4' energy: -87.806 flat angles C4'-P-C4' energy: -87.864 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -101.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1120.977350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.977350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.977350 (E_RNA) where: Base-Base interactions energy: -730.777 where: short stacking energy: -320.325 Base-Backbone interact. energy: 1.710 local terms energy: -391.910128 where: bonds (distance) C4'-P energy: -68.454 bonds (distance) P-C4' energy: -100.350 flat angles C4'-P-C4' energy: -89.236 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -83.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -998.128864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.128864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.128864 (E_RNA) where: Base-Base interactions energy: -608.039 where: short stacking energy: -310.906 Base-Backbone interact. energy: -3.322 local terms energy: -386.767700 where: bonds (distance) C4'-P energy: -95.542 bonds (distance) P-C4' energy: -82.505 flat angles C4'-P-C4' energy: -86.347 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: -70.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -783.262067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.262067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.262067 (E_RNA) where: Base-Base interactions energy: -450.165 where: short stacking energy: -215.660 Base-Backbone interact. energy: -1.744 local terms energy: -331.353444 where: bonds (distance) C4'-P energy: -74.236 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -81.192 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -35.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -667.720981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.720981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.720981 (E_RNA) where: Base-Base interactions energy: -343.517 where: short stacking energy: -194.958 Base-Backbone interact. energy: 2.368 local terms energy: -326.571960 where: bonds (distance) C4'-P energy: -84.415 bonds (distance) P-C4' energy: -83.576 flat angles C4'-P-C4' energy: -89.597 flat angles P-C4'-P energy: -52.396 tors. eta vs tors. theta energy: -16.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -587.556294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.556294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.556294 (E_RNA) where: Base-Base interactions energy: -304.168 where: short stacking energy: -171.988 Base-Backbone interact. energy: -0.117 local terms energy: -283.271229 where: bonds (distance) C4'-P energy: -79.244 bonds (distance) P-C4' energy: -72.550 flat angles C4'-P-C4' energy: -67.748 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -10.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -383.908203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.908203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.908203 (E_RNA) where: Base-Base interactions energy: -128.197 where: short stacking energy: -108.254 Base-Backbone interact. energy: -1.528 local terms energy: -254.183344 where: bonds (distance) C4'-P energy: -81.484 bonds (distance) P-C4' energy: -79.399 flat angles C4'-P-C4' energy: -57.864 flat angles P-C4'-P energy: -46.052 tors. eta vs tors. theta energy: 10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1471.070820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.070820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.070820 (E_RNA) where: Base-Base interactions energy: -971.232 where: short stacking energy: -433.673 Base-Backbone interact. energy: -1.211 local terms energy: -498.627019 where: bonds (distance) C4'-P energy: -98.680 bonds (distance) P-C4' energy: -91.352 flat angles C4'-P-C4' energy: -108.169 flat angles P-C4'-P energy: -80.200 tors. eta vs tors. theta energy: -120.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1375.392028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.392028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.392028 (E_RNA) where: Base-Base interactions energy: -890.765 where: short stacking energy: -410.097 Base-Backbone interact. energy: 0.260 local terms energy: -484.887272 where: bonds (distance) C4'-P energy: -98.450 bonds (distance) P-C4' energy: -98.382 flat angles C4'-P-C4' energy: -100.717 flat angles P-C4'-P energy: -76.343 tors. eta vs tors. theta energy: -110.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1312.842970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.842970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.842970 (E_RNA) where: Base-Base interactions energy: -838.783 where: short stacking energy: -431.144 Base-Backbone interact. energy: -3.483 local terms energy: -470.577108 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -92.993 flat angles C4'-P-C4' energy: -106.048 flat angles P-C4'-P energy: -68.714 tors. eta vs tors. theta energy: -123.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1170.296888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.296888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.296888 (E_RNA) where: Base-Base interactions energy: -773.750 where: short stacking energy: -356.192 Base-Backbone interact. energy: 2.768 local terms energy: -399.315061 where: bonds (distance) C4'-P energy: -96.858 bonds (distance) P-C4' energy: -99.060 flat angles C4'-P-C4' energy: -79.512 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -70.612 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: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1096.260027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.260027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.260027 (E_RNA) where: Base-Base interactions energy: -709.745 where: short stacking energy: -332.380 Base-Backbone interact. energy: -2.983 local terms energy: -383.531791 where: bonds (distance) C4'-P energy: -81.936 bonds (distance) P-C4' energy: -85.825 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: -77.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1039.906925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.906925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.906925 (E_RNA) where: Base-Base interactions energy: -651.799 where: short stacking energy: -295.040 Base-Backbone interact. energy: -4.424 local terms energy: -383.684019 where: bonds (distance) C4'-P energy: -84.264 bonds (distance) P-C4' energy: -86.771 flat angles C4'-P-C4' energy: -94.879 flat angles P-C4'-P energy: -44.439 tors. eta vs tors. theta energy: -73.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -810.049576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.049576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.049576 (E_RNA) where: Base-Base interactions energy: -480.174 where: short stacking energy: -218.831 Base-Backbone interact. energy: -1.319 local terms energy: -328.556281 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -92.703 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -38.085 tors. eta vs tors. theta energy: -33.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -677.345474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.345474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.345474 (E_RNA) where: Base-Base interactions energy: -361.712 where: short stacking energy: -188.500 Base-Backbone interact. energy: 2.970 local terms energy: -318.603182 where: bonds (distance) C4'-P energy: -78.290 bonds (distance) P-C4' energy: -86.903 flat angles C4'-P-C4' energy: -88.101 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -12.101 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: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -603.261934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.261934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.261934 (E_RNA) where: Base-Base interactions energy: -319.472 where: short stacking energy: -172.129 Base-Backbone interact. energy: 6.986 local terms energy: -290.775906 where: bonds (distance) C4'-P energy: -75.509 bonds (distance) P-C4' energy: -86.049 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -45.692 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -378.924372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.924372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.924372 (E_RNA) where: Base-Base interactions energy: -105.170 where: short stacking energy: -74.139 Base-Backbone interact. energy: -0.505 local terms energy: -273.248981 where: bonds (distance) C4'-P energy: -77.228 bonds (distance) P-C4' energy: -86.163 flat angles C4'-P-C4' energy: -74.451 flat angles P-C4'-P energy: -52.851 tors. eta vs tors. theta energy: 17.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1478.310962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.310962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.310962 (E_RNA) where: Base-Base interactions energy: -999.290 where: short stacking energy: -457.548 Base-Backbone interact. energy: -2.337 local terms energy: -476.683721 where: bonds (distance) C4'-P energy: -89.818 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -104.438 flat angles P-C4'-P energy: -64.068 tors. eta vs tors. theta energy: -119.438 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: 2, replica: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1350.656051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.656051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.656051 (E_RNA) where: Base-Base interactions energy: -867.683 where: short stacking energy: -401.084 Base-Backbone interact. energy: -0.391 local terms energy: -482.581630 where: bonds (distance) C4'-P energy: -95.981 bonds (distance) P-C4' energy: -99.623 flat angles C4'-P-C4' energy: -102.224 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -114.614 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: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1319.571678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.571678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.571678 (E_RNA) where: Base-Base interactions energy: -848.588 where: short stacking energy: -428.367 Base-Backbone interact. energy: 0.669 local terms energy: -471.652383 where: bonds (distance) C4'-P energy: -80.486 bonds (distance) P-C4' energy: -96.241 flat angles C4'-P-C4' energy: -107.152 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -124.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1189.725814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.725814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.725814 (E_RNA) where: Base-Base interactions energy: -772.005 where: short stacking energy: -340.538 Base-Backbone interact. energy: -1.788 local terms energy: -415.933052 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -95.343 flat angles C4'-P-C4' energy: -99.433 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: -81.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1121.061898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.061898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.061898 (E_RNA) where: Base-Base interactions energy: -692.527 where: short stacking energy: -339.171 Base-Backbone interact. energy: -4.740 local terms energy: -423.795175 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -95.615 flat angles C4'-P-C4' energy: -89.142 flat angles P-C4'-P energy: -54.747 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: 190 Temperature: 1.150000 Total energy: -972.492600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.492600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.492600 (E_RNA) where: Base-Base interactions energy: -598.544 where: short stacking energy: -279.902 Base-Backbone interact. energy: -4.496 local terms energy: -369.452158 where: bonds (distance) C4'-P energy: -87.535 bonds (distance) P-C4' energy: -88.051 flat angles C4'-P-C4' energy: -81.306 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -57.685 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: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -786.248394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.248394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.248394 (E_RNA) where: Base-Base interactions energy: -466.527 where: short stacking energy: -226.747 Base-Backbone interact. energy: -1.074 local terms energy: -318.646753 where: bonds (distance) C4'-P energy: -76.573 bonds (distance) P-C4' energy: -88.831 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: -36.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -666.839862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.839862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.839862 (E_RNA) where: Base-Base interactions energy: -356.109 where: short stacking energy: -199.203 Base-Backbone interact. energy: -0.224 local terms energy: -310.506035 where: bonds (distance) C4'-P energy: -97.400 bonds (distance) P-C4' energy: -80.130 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -22.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -584.065844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.065844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.065844 (E_RNA) where: Base-Base interactions energy: -285.031 where: short stacking energy: -156.357 Base-Backbone interact. energy: -2.947 local terms energy: -296.087449 where: bonds (distance) C4'-P energy: -87.912 bonds (distance) P-C4' energy: -90.645 flat angles C4'-P-C4' energy: -79.148 flat angles P-C4'-P energy: -38.192 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -385.617224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.617224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.617224 (E_RNA) where: Base-Base interactions energy: -150.982 where: short stacking energy: -140.911 Base-Backbone interact. energy: -0.318 local terms energy: -234.317029 where: bonds (distance) C4'-P energy: -72.597 bonds (distance) P-C4' energy: -80.334 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -31.101 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: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1487.598786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.598786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.598786 (E_RNA) where: Base-Base interactions energy: -1022.497 where: short stacking energy: -450.075 Base-Backbone interact. energy: 1.444 local terms energy: -466.546036 where: bonds (distance) C4'-P energy: -92.758 bonds (distance) P-C4' energy: -87.291 flat angles C4'-P-C4' energy: -100.807 flat angles P-C4'-P energy: -65.524 tors. eta vs tors. theta energy: -120.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1360.574496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.574496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.574496 (E_RNA) where: Base-Base interactions energy: -882.479 where: short stacking energy: -429.721 Base-Backbone interact. energy: -2.643 local terms energy: -475.452631 where: bonds (distance) C4'-P energy: -83.364 bonds (distance) P-C4' energy: -92.990 flat angles C4'-P-C4' energy: -104.610 flat angles P-C4'-P energy: -62.830 tors. eta vs tors. theta energy: -131.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1292.683557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.683557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.683557 (E_RNA) where: Base-Base interactions energy: -839.742 where: short stacking energy: -385.806 Base-Backbone interact. energy: -1.104 local terms energy: -451.837149 where: bonds (distance) C4'-P energy: -92.886 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -97.879 flat angles P-C4'-P energy: -71.154 tors. eta vs tors. theta energy: -103.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1182.098028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.098028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.098028 (E_RNA) where: Base-Base interactions energy: -781.237 where: short stacking energy: -338.189 Base-Backbone interact. energy: -0.399 local terms energy: -400.461510 where: bonds (distance) C4'-P energy: -87.097 bonds (distance) P-C4' energy: -95.505 flat angles C4'-P-C4' energy: -95.236 flat angles P-C4'-P energy: -46.973 tors. eta vs tors. theta energy: -75.650 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: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1138.872769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.872769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.872769 (E_RNA) where: Base-Base interactions energy: -719.485 where: short stacking energy: -313.463 Base-Backbone interact. energy: -1.418 local terms energy: -417.969481 where: bonds (distance) C4'-P energy: -98.463 bonds (distance) P-C4' energy: -85.660 flat angles C4'-P-C4' energy: -93.986 flat angles P-C4'-P energy: -43.123 tors. eta vs tors. theta energy: -96.737 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: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -993.202051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.202051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.202051 (E_RNA) where: Base-Base interactions energy: -596.708 where: short stacking energy: -289.777 Base-Backbone interact. energy: -0.050 local terms energy: -396.443748 where: bonds (distance) C4'-P energy: -88.064 bonds (distance) P-C4' energy: -93.179 flat angles C4'-P-C4' energy: -84.448 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -64.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -850.496284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.496284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.496284 (E_RNA) where: Base-Base interactions energy: -499.585 where: short stacking energy: -237.183 Base-Backbone interact. energy: -3.920 local terms energy: -346.991131 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -89.418 flat angles C4'-P-C4' energy: -87.752 flat angles P-C4'-P energy: -49.086 tors. eta vs tors. theta energy: -43.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -677.729726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.729726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.729726 (E_RNA) where: Base-Base interactions energy: -369.950 where: short stacking energy: -169.349 Base-Backbone interact. energy: -3.125 local terms energy: -304.654905 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -38.492 tors. eta vs tors. theta energy: -10.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -616.608408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.608408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.608408 (E_RNA) where: Base-Base interactions energy: -348.281 where: short stacking energy: -183.913 Base-Backbone interact. energy: 1.536 local terms energy: -269.863154 where: bonds (distance) C4'-P energy: -73.297 bonds (distance) P-C4' energy: -77.215 flat angles C4'-P-C4' energy: -74.519 flat angles P-C4'-P energy: -32.601 tors. eta vs tors. theta energy: -12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -381.257409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.257409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.257409 (E_RNA) where: Base-Base interactions energy: -122.539 where: short stacking energy: -116.539 Base-Backbone interact. energy: 2.727 local terms energy: -261.445473 where: bonds (distance) C4'-P energy: -73.876 bonds (distance) P-C4' energy: -81.386 flat angles C4'-P-C4' energy: -81.844 flat angles P-C4'-P energy: -26.043 tors. eta vs tors. theta energy: 1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1479.781365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.781365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.781365 (E_RNA) where: Base-Base interactions energy: -983.918 where: short stacking energy: -433.497 Base-Backbone interact. energy: 0.999 local terms energy: -496.862182 where: bonds (distance) C4'-P energy: -93.890 bonds (distance) P-C4' energy: -99.719 flat angles C4'-P-C4' energy: -107.262 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -116.347 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: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1377.076610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.076610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.076610 (E_RNA) where: Base-Base interactions energy: -901.302 where: short stacking energy: -408.223 Base-Backbone interact. energy: -1.041 local terms energy: -474.734069 where: bonds (distance) C4'-P energy: -93.437 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -79.241 tors. eta vs tors. theta energy: -121.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1330.684546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.684546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.684546 (E_RNA) where: Base-Base interactions energy: -869.041 where: short stacking energy: -412.266 Base-Backbone interact. energy: -1.701 local terms energy: -459.942855 where: bonds (distance) C4'-P energy: -87.409 bonds (distance) P-C4' energy: -102.186 flat angles C4'-P-C4' energy: -104.665 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -112.368 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: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1186.803260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.803260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.803260 (E_RNA) where: Base-Base interactions energy: -755.414 where: short stacking energy: -342.209 Base-Backbone interact. energy: -1.064 local terms energy: -430.324559 where: bonds (distance) C4'-P energy: -84.651 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -95.883 flat angles P-C4'-P energy: -73.633 tors. eta vs tors. theta energy: -83.327 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: 192 Temperature: 1.100000 Total energy: -1135.964497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.964497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.964497 (E_RNA) where: Base-Base interactions energy: -702.780 where: short stacking energy: -336.770 Base-Backbone interact. energy: -0.724 local terms energy: -432.460406 where: bonds (distance) C4'-P energy: -87.002 bonds (distance) P-C4' energy: -90.006 flat angles C4'-P-C4' energy: -99.808 flat angles P-C4'-P energy: -69.483 tors. eta vs tors. theta energy: -86.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -998.691458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.691458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.691458 (E_RNA) where: Base-Base interactions energy: -629.937 where: short stacking energy: -292.994 Base-Backbone interact. energy: -1.657 local terms energy: -367.097233 where: bonds (distance) C4'-P energy: -86.763 bonds (distance) P-C4' energy: -82.029 flat angles C4'-P-C4' energy: -87.360 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -62.873 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: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -814.511399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.511399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.511399 (E_RNA) where: Base-Base interactions energy: -484.514 where: short stacking energy: -235.425 Base-Backbone interact. energy: 0.190 local terms energy: -330.187005 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -68.286 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -60.859 tors. eta vs tors. theta energy: -42.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -679.143896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.143896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.143896 (E_RNA) where: Base-Base interactions energy: -387.405 where: short stacking energy: -196.080 Base-Backbone interact. energy: 5.510 local terms energy: -297.248973 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -86.327 flat angles C4'-P-C4' energy: -79.508 flat angles P-C4'-P energy: -39.453 tors. eta vs tors. theta energy: -12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -565.126778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.126778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.126778 (E_RNA) where: Base-Base interactions energy: -298.738 where: short stacking energy: -150.386 Base-Backbone interact. energy: -1.505 local terms energy: -264.884247 where: bonds (distance) C4'-P energy: -67.353 bonds (distance) P-C4' energy: -90.793 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: 2.442 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: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -378.083267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.083267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.083267 (E_RNA) where: Base-Base interactions energy: -130.564 where: short stacking energy: -90.909 Base-Backbone interact. energy: 0.959 local terms energy: -248.478437 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -78.531 flat angles C4'-P-C4' energy: -55.406 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: 25.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1481.240174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.240174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.240174 (E_RNA) where: Base-Base interactions energy: -975.666 where: short stacking energy: -440.070 Base-Backbone interact. energy: -2.504 local terms energy: -503.069766 where: bonds (distance) C4'-P energy: -101.107 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -107.693 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -119.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1370.109773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.109773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.109773 (E_RNA) where: Base-Base interactions energy: -917.058 where: short stacking energy: -416.639 Base-Backbone interact. energy: -1.382 local terms energy: -451.670206 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -92.702 flat angles C4'-P-C4' energy: -100.504 flat angles P-C4'-P energy: -57.375 tors. eta vs tors. theta energy: -109.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1317.861101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.861101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.861101 (E_RNA) where: Base-Base interactions energy: -855.007 where: short stacking energy: -403.489 Base-Backbone interact. energy: -0.145 local terms energy: -462.709063 where: bonds (distance) C4'-P energy: -100.960 bonds (distance) P-C4' energy: -79.286 flat angles C4'-P-C4' energy: -104.566 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -118.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1188.394254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.394254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.394254 (E_RNA) where: Base-Base interactions energy: -814.396 where: short stacking energy: -345.762 Base-Backbone interact. energy: 2.959 local terms energy: -376.957623 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -82.914 flat angles C4'-P-C4' energy: -91.806 flat angles P-C4'-P energy: -43.823 tors. eta vs tors. theta energy: -83.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1121.496366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.496366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.496366 (E_RNA) where: Base-Base interactions energy: -731.874 where: short stacking energy: -316.305 Base-Backbone interact. energy: -1.359 local terms energy: -388.264060 where: bonds (distance) C4'-P energy: -94.162 bonds (distance) P-C4' energy: -87.823 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -51.239 tors. eta vs tors. theta energy: -80.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -953.337846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.337846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.337846 (E_RNA) where: Base-Base interactions energy: -578.452 where: short stacking energy: -261.445 Base-Backbone interact. energy: -0.798 local terms energy: -374.088697 where: bonds (distance) C4'-P energy: -85.179 bonds (distance) P-C4' energy: -96.544 flat angles C4'-P-C4' energy: -91.040 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -48.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -839.098847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.098847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.098847 (E_RNA) where: Base-Base interactions energy: -517.166 where: short stacking energy: -277.817 Base-Backbone interact. energy: -1.193 local terms energy: -320.740468 where: bonds (distance) C4'-P energy: -62.311 bonds (distance) P-C4' energy: -86.207 flat angles C4'-P-C4' energy: -82.945 flat angles P-C4'-P energy: -44.461 tors. eta vs tors. theta energy: -44.816 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: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -687.138432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.138432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.138432 (E_RNA) where: Base-Base interactions energy: -361.048 where: short stacking energy: -207.955 Base-Backbone interact. energy: -0.800 local terms energy: -325.290204 where: bonds (distance) C4'-P energy: -96.689 bonds (distance) P-C4' energy: -83.806 flat angles C4'-P-C4' energy: -81.649 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -12.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -631.997734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.997734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.997734 (E_RNA) where: Base-Base interactions energy: -333.119 where: short stacking energy: -213.830 Base-Backbone interact. energy: -0.163 local terms energy: -298.714922 where: bonds (distance) C4'-P energy: -76.119 bonds (distance) P-C4' energy: -71.409 flat angles C4'-P-C4' energy: -73.455 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -36.467 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: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -365.795917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.795917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.795917 (E_RNA) where: Base-Base interactions energy: -130.184 where: short stacking energy: -103.639 Base-Backbone interact. energy: 4.482 local terms energy: -240.093705 where: bonds (distance) C4'-P energy: -85.248 bonds (distance) P-C4' energy: -86.879 flat angles C4'-P-C4' energy: -63.125 flat angles P-C4'-P energy: -21.565 tors. eta vs tors. theta energy: 16.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1471.506495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.506495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.506495 (E_RNA) where: Base-Base interactions energy: -986.948 where: short stacking energy: -420.974 Base-Backbone interact. energy: -3.739 local terms energy: -480.819338 where: bonds (distance) C4'-P energy: -91.510 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -99.429 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -113.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1436.890013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.890013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.890013 (E_RNA) where: Base-Base interactions energy: -930.499 where: short stacking energy: -431.595 Base-Backbone interact. energy: -2.776 local terms energy: -503.615128 where: bonds (distance) C4'-P energy: -98.405 bonds (distance) P-C4' energy: -97.649 flat angles C4'-P-C4' energy: -109.203 flat angles P-C4'-P energy: -74.225 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: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1339.954724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.954724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.954724 (E_RNA) where: Base-Base interactions energy: -872.998 where: short stacking energy: -403.192 Base-Backbone interact. energy: -0.307 local terms energy: -466.650034 where: bonds (distance) C4'-P energy: -95.501 bonds (distance) P-C4' energy: -90.223 flat angles C4'-P-C4' energy: -101.441 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -119.964 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1192.766804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.766804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.766804 (E_RNA) where: Base-Base interactions energy: -761.371 where: short stacking energy: -361.894 Base-Backbone interact. energy: -0.432 local terms energy: -430.964350 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -92.871 flat angles C4'-P-C4' energy: -105.751 flat angles P-C4'-P energy: -61.931 tors. eta vs tors. theta energy: -91.509 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: 194 Temperature: 1.100000 Total energy: -1116.708726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.708726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.708726 (E_RNA) where: Base-Base interactions energy: -699.915 where: short stacking energy: -348.303 Base-Backbone interact. energy: -2.316 local terms energy: -414.477716 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -86.469 flat angles C4'-P-C4' energy: -89.504 flat angles P-C4'-P energy: -53.022 tors. eta vs tors. theta energy: -102.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -952.904394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.904394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.904394 (E_RNA) where: Base-Base interactions energy: -585.974 where: short stacking energy: -278.916 Base-Backbone interact. energy: -1.830 local terms energy: -365.100920 where: bonds (distance) C4'-P energy: -82.248 bonds (distance) P-C4' energy: -83.463 flat angles C4'-P-C4' energy: -78.568 flat angles P-C4'-P energy: -66.386 tors. eta vs tors. theta energy: -54.436 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: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -853.611556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.611556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.611556 (E_RNA) where: Base-Base interactions energy: -487.607 where: short stacking energy: -227.433 Base-Backbone interact. energy: -2.547 local terms energy: -363.457108 where: bonds (distance) C4'-P energy: -97.691 bonds (distance) P-C4' energy: -89.351 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -53.945 tors. eta vs tors. theta energy: -54.701 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: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -638.949871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.949871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.949871 (E_RNA) where: Base-Base interactions energy: -358.610 where: short stacking energy: -188.329 Base-Backbone interact. energy: -0.543 local terms energy: -279.796979 where: bonds (distance) C4'-P energy: -76.373 bonds (distance) P-C4' energy: -71.968 flat angles C4'-P-C4' energy: -69.738 flat angles P-C4'-P energy: -46.571 tors. eta vs tors. theta energy: -15.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -615.033741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.033741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.033741 (E_RNA) where: Base-Base interactions energy: -294.264 where: short stacking energy: -173.794 Base-Backbone interact. energy: 4.181 local terms energy: -324.950132 where: bonds (distance) C4'-P energy: -88.322 bonds (distance) P-C4' energy: -95.636 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -26.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -380.142827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.142827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.142827 (E_RNA) where: Base-Base interactions energy: -121.477 where: short stacking energy: -102.699 Base-Backbone interact. energy: -1.411 local terms energy: -257.255051 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -89.659 flat angles C4'-P-C4' energy: -61.242 flat angles P-C4'-P energy: -37.057 tors. eta vs tors. theta energy: 4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1515.422927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.422927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.422927 (E_RNA) where: Base-Base interactions energy: -994.768 where: short stacking energy: -438.488 Base-Backbone interact. energy: -0.801 local terms energy: -519.853868 where: bonds (distance) C4'-P energy: -97.184 bonds (distance) P-C4' energy: -106.726 flat angles C4'-P-C4' energy: -110.320 flat angles P-C4'-P energy: -81.151 tors. eta vs tors. theta energy: -124.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1374.123683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.123683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.123683 (E_RNA) where: Base-Base interactions energy: -901.860 where: short stacking energy: -413.292 Base-Backbone interact. energy: -2.611 local terms energy: -469.652754 where: bonds (distance) C4'-P energy: -91.592 bonds (distance) P-C4' energy: -93.613 flat angles C4'-P-C4' energy: -96.120 flat angles P-C4'-P energy: -68.679 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: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1352.703983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.703983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.703983 (E_RNA) where: Base-Base interactions energy: -881.755 where: short stacking energy: -418.959 Base-Backbone interact. energy: -0.997 local terms energy: -469.951388 where: bonds (distance) C4'-P energy: -89.690 bonds (distance) P-C4' energy: -98.150 flat angles C4'-P-C4' energy: -100.785 flat angles P-C4'-P energy: -69.187 tors. eta vs tors. theta energy: -112.140 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1168.263499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.263499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.263499 (E_RNA) where: Base-Base interactions energy: -744.663 where: short stacking energy: -334.603 Base-Backbone interact. energy: -2.095 local terms energy: -421.504895 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -83.808 flat angles C4'-P-C4' energy: -96.575 flat angles P-C4'-P energy: -69.350 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: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1161.459403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.459403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.459403 (E_RNA) where: Base-Base interactions energy: -739.625 where: short stacking energy: -355.141 Base-Backbone interact. energy: -2.894 local terms energy: -418.940650 where: bonds (distance) C4'-P energy: -81.773 bonds (distance) P-C4' energy: -83.423 flat angles C4'-P-C4' energy: -97.623 flat angles P-C4'-P energy: -50.447 tors. eta vs tors. theta energy: -105.674 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1000.965389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.965389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.965389 (E_RNA) where: Base-Base interactions energy: -602.921 where: short stacking energy: -305.930 Base-Backbone interact. energy: -1.468 local terms energy: -396.577323 where: bonds (distance) C4'-P energy: -76.835 bonds (distance) P-C4' energy: -98.052 flat angles C4'-P-C4' energy: -94.722 flat angles P-C4'-P energy: -43.331 tors. eta vs tors. theta energy: -83.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -864.010861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.010861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.010861 (E_RNA) where: Base-Base interactions energy: -511.506 where: short stacking energy: -245.285 Base-Backbone interact. energy: -3.138 local terms energy: -349.367022 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -83.342 flat angles C4'-P-C4' energy: -80.282 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: -42.998 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: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -716.711289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.711289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.711289 (E_RNA) where: Base-Base interactions energy: -421.109 where: short stacking energy: -198.496 Base-Backbone interact. energy: -0.587 local terms energy: -295.016048 where: bonds (distance) C4'-P energy: -74.644 bonds (distance) P-C4' energy: -87.731 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -51.587 tors. eta vs tors. theta energy: -14.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -605.694205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.694205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.694205 (E_RNA) where: Base-Base interactions energy: -330.429 where: short stacking energy: -171.186 Base-Backbone interact. energy: 1.882 local terms energy: -277.146652 where: bonds (distance) C4'-P energy: -69.114 bonds (distance) P-C4' energy: -76.900 flat angles C4'-P-C4' energy: -81.926 flat angles P-C4'-P energy: -40.761 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -390.262248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.262248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.262248 (E_RNA) where: Base-Base interactions energy: -153.922 where: short stacking energy: -123.470 Base-Backbone interact. energy: -1.462 local terms energy: -234.878001 where: bonds (distance) C4'-P energy: -71.124 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -72.055 flat angles P-C4'-P energy: -38.744 tors. eta vs tors. theta energy: 11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1483.394794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.394794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.394794 (E_RNA) where: Base-Base interactions energy: -1006.147 where: short stacking energy: -440.142 Base-Backbone interact. energy: -3.175 local terms energy: -474.073485 where: bonds (distance) C4'-P energy: -89.955 bonds (distance) P-C4' energy: -93.358 flat angles C4'-P-C4' energy: -98.911 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -116.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1378.667912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.667912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.667912 (E_RNA) where: Base-Base interactions energy: -888.325 where: short stacking energy: -414.601 Base-Backbone interact. energy: -2.789 local terms energy: -487.553573 where: bonds (distance) C4'-P energy: -93.399 bonds (distance) P-C4' energy: -106.954 flat angles C4'-P-C4' energy: -109.724 flat angles P-C4'-P energy: -68.370 tors. eta vs tors. theta energy: -109.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1353.784599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.784599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.784599 (E_RNA) where: Base-Base interactions energy: -876.219 where: short stacking energy: -415.782 Base-Backbone interact. energy: 1.047 local terms energy: -478.612860 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -94.048 flat angles C4'-P-C4' energy: -110.721 flat angles P-C4'-P energy: -66.048 tors. eta vs tors. theta energy: -125.225 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: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1141.872695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.872695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.872695 (E_RNA) where: Base-Base interactions energy: -721.409 where: short stacking energy: -330.277 Base-Backbone interact. energy: 1.555 local terms energy: -422.018495 where: bonds (distance) C4'-P energy: -94.391 bonds (distance) P-C4' energy: -93.247 flat angles C4'-P-C4' energy: -97.661 flat angles P-C4'-P energy: -62.564 tors. eta vs tors. theta energy: -74.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1111.104947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.104947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.104947 (E_RNA) where: Base-Base interactions energy: -695.913 where: short stacking energy: -340.272 Base-Backbone interact. energy: 4.022 local terms energy: -419.214092 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -85.741 flat angles C4'-P-C4' energy: -95.974 flat angles P-C4'-P energy: -56.396 tors. eta vs tors. theta energy: -92.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -987.265424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.265424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.265424 (E_RNA) where: Base-Base interactions energy: -607.500 where: short stacking energy: -299.885 Base-Backbone interact. energy: -2.854 local terms energy: -376.911688 where: bonds (distance) C4'-P energy: -96.676 bonds (distance) P-C4' energy: -78.907 flat angles C4'-P-C4' energy: -79.565 flat angles P-C4'-P energy: -52.892 tors. eta vs tors. theta energy: -68.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -848.993349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.993349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.993349 (E_RNA) where: Base-Base interactions energy: -491.480 where: short stacking energy: -252.001 Base-Backbone interact. energy: 0.835 local terms energy: -358.349000 where: bonds (distance) C4'-P energy: -81.087 bonds (distance) P-C4' energy: -86.726 flat angles C4'-P-C4' energy: -81.081 flat angles P-C4'-P energy: -53.234 tors. eta vs tors. theta energy: -56.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -714.557320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.557320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.557320 (E_RNA) where: Base-Base interactions energy: -411.225 where: short stacking energy: -197.575 Base-Backbone interact. energy: 1.778 local terms energy: -305.110002 where: bonds (distance) C4'-P energy: -87.064 bonds (distance) P-C4' energy: -82.943 flat angles C4'-P-C4' energy: -75.433 flat angles P-C4'-P energy: -40.095 tors. eta vs tors. theta energy: -19.575 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: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -608.739449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.739449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.739449 (E_RNA) where: Base-Base interactions energy: -300.615 where: short stacking energy: -165.925 Base-Backbone interact. energy: 4.430 local terms energy: -312.555133 where: bonds (distance) C4'-P energy: -84.057 bonds (distance) P-C4' energy: -79.163 flat angles C4'-P-C4' energy: -78.082 flat angles P-C4'-P energy: -49.380 tors. eta vs tors. theta energy: -21.873 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: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -388.110785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.110785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.110785 (E_RNA) where: Base-Base interactions energy: -136.031 where: short stacking energy: -119.871 Base-Backbone interact. energy: 3.026 local terms energy: -255.105271 where: bonds (distance) C4'-P energy: -63.227 bonds (distance) P-C4' energy: -89.935 flat angles C4'-P-C4' energy: -65.418 flat angles P-C4'-P energy: -48.803 tors. eta vs tors. theta energy: 12.279 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1496.159829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.159829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.159829 (E_RNA) where: Base-Base interactions energy: -1005.056 where: short stacking energy: -443.904 Base-Backbone interact. energy: -2.517 local terms energy: -488.586343 where: bonds (distance) C4'-P energy: -99.472 bonds (distance) P-C4' energy: -84.790 flat angles C4'-P-C4' energy: -115.645 flat angles P-C4'-P energy: -66.871 tors. eta vs tors. theta energy: -121.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1366.899077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.899077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.899077 (E_RNA) where: Base-Base interactions energy: -891.732 where: short stacking energy: -417.120 Base-Backbone interact. energy: -0.655 local terms energy: -474.511625 where: bonds (distance) C4'-P energy: -85.663 bonds (distance) P-C4' energy: -99.097 flat angles C4'-P-C4' energy: -95.729 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -124.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1343.727782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.727782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.727782 (E_RNA) where: Base-Base interactions energy: -875.559 where: short stacking energy: -415.815 Base-Backbone interact. energy: -1.482 local terms energy: -466.686534 where: bonds (distance) C4'-P energy: -90.266 bonds (distance) P-C4' energy: -100.279 flat angles C4'-P-C4' energy: -94.263 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -116.713 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: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1130.603125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.603125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.603125 (E_RNA) where: Base-Base interactions energy: -722.430 where: short stacking energy: -323.274 Base-Backbone interact. energy: 4.603 local terms energy: -412.775718 where: bonds (distance) C4'-P energy: -93.709 bonds (distance) P-C4' energy: -90.363 flat angles C4'-P-C4' energy: -95.341 flat angles P-C4'-P energy: -53.405 tors. eta vs tors. theta energy: -79.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1106.140105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.140105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.140105 (E_RNA) where: Base-Base interactions energy: -706.520 where: short stacking energy: -333.813 Base-Backbone interact. energy: 1.878 local terms energy: -401.498087 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -87.342 flat angles C4'-P-C4' energy: -88.935 flat angles P-C4'-P energy: -58.841 tors. eta vs tors. theta energy: -84.841 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: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -909.299389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.299389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.299389 (E_RNA) where: Base-Base interactions energy: -537.668 where: short stacking energy: -275.445 Base-Backbone interact. energy: 1.885 local terms energy: -373.516818 where: bonds (distance) C4'-P energy: -87.028 bonds (distance) P-C4' energy: -74.938 flat angles C4'-P-C4' energy: -82.159 flat angles P-C4'-P energy: -62.199 tors. eta vs tors. theta energy: -67.193 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: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -888.802253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.802253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.802253 (E_RNA) where: Base-Base interactions energy: -549.119 where: short stacking energy: -256.514 Base-Backbone interact. energy: 2.144 local terms energy: -341.827966 where: bonds (distance) C4'-P energy: -79.514 bonds (distance) P-C4' energy: -83.520 flat angles C4'-P-C4' energy: -79.211 flat angles P-C4'-P energy: -55.816 tors. eta vs tors. theta energy: -43.767 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -750.082057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.082057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.082057 (E_RNA) where: Base-Base interactions energy: -433.351 where: short stacking energy: -199.672 Base-Backbone interact. energy: -0.875 local terms energy: -315.856256 where: bonds (distance) C4'-P energy: -62.434 bonds (distance) P-C4' energy: -92.288 flat angles C4'-P-C4' energy: -84.134 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -33.295 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: 9, replica: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -603.997764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.997764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.997764 (E_RNA) where: Base-Base interactions energy: -299.655 where: short stacking energy: -172.194 Base-Backbone interact. energy: -0.849 local terms energy: -303.493531 where: bonds (distance) C4'-P energy: -86.612 bonds (distance) P-C4' energy: -87.572 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -32.776 tors. eta vs tors. theta energy: -26.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -368.245654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.245654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.245654 (E_RNA) where: Base-Base interactions energy: -135.412 where: short stacking energy: -109.995 Base-Backbone interact. energy: 3.717 local terms energy: -236.550654 where: bonds (distance) C4'-P energy: -91.056 bonds (distance) P-C4' energy: -61.554 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -39.576 tors. eta vs tors. theta energy: 29.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1492.475258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.475258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.475258 (E_RNA) where: Base-Base interactions energy: -1015.913 where: short stacking energy: -446.886 Base-Backbone interact. energy: -1.773 local terms energy: -474.788756 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -93.989 flat angles P-C4'-P energy: -65.582 tors. eta vs tors. theta energy: -129.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1411.259210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.259210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.259210 (E_RNA) where: Base-Base interactions energy: -920.432 where: short stacking energy: -430.798 Base-Backbone interact. energy: -1.153 local terms energy: -489.674185 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -109.205 flat angles P-C4'-P energy: -72.445 tors. eta vs tors. theta energy: -128.145 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: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1339.623804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.623804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.623804 (E_RNA) where: Base-Base interactions energy: -861.492 where: short stacking energy: -419.262 Base-Backbone interact. energy: 0.273 local terms energy: -478.405204 where: bonds (distance) C4'-P energy: -95.517 bonds (distance) P-C4' energy: -88.359 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -66.355 tors. eta vs tors. theta energy: -126.088 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1157.941545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.941545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.941545 (E_RNA) where: Base-Base interactions energy: -746.754 where: short stacking energy: -339.199 Base-Backbone interact. energy: 1.165 local terms energy: -412.352436 where: bonds (distance) C4'-P energy: -92.612 bonds (distance) P-C4' energy: -85.056 flat angles C4'-P-C4' energy: -90.851 flat angles P-C4'-P energy: -60.481 tors. eta vs tors. theta energy: -83.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1083.557418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.557418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.557418 (E_RNA) where: Base-Base interactions energy: -690.263 where: short stacking energy: -303.521 Base-Backbone interact. energy: -3.184 local terms energy: -390.110941 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -72.318 flat angles C4'-P-C4' energy: -86.468 flat angles P-C4'-P energy: -55.801 tors. eta vs tors. theta energy: -78.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -926.794331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.794331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.794331 (E_RNA) where: Base-Base interactions energy: -559.371 where: short stacking energy: -256.130 Base-Backbone interact. energy: -0.828 local terms energy: -366.595670 where: bonds (distance) C4'-P energy: -89.045 bonds (distance) P-C4' energy: -84.062 flat angles C4'-P-C4' energy: -90.393 flat angles P-C4'-P energy: -59.501 tors. eta vs tors. theta energy: -43.595 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: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -883.181507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.181507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.181507 (E_RNA) where: Base-Base interactions energy: -552.023 where: short stacking energy: -247.805 Base-Backbone interact. energy: -4.139 local terms energy: -327.018839 where: bonds (distance) C4'-P energy: -68.516 bonds (distance) P-C4' energy: -88.209 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -56.927 tors. eta vs tors. theta energy: -37.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -724.994066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.994066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.994066 (E_RNA) where: Base-Base interactions energy: -414.776 where: short stacking energy: -207.942 Base-Backbone interact. energy: -2.443 local terms energy: -307.775866 where: bonds (distance) C4'-P energy: -84.571 bonds (distance) P-C4' energy: -75.227 flat angles C4'-P-C4' energy: -67.785 flat angles P-C4'-P energy: -51.896 tors. eta vs tors. theta energy: -28.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -613.402786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.402786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.402786 (E_RNA) where: Base-Base interactions energy: -309.232 where: short stacking energy: -166.285 Base-Backbone interact. energy: -1.856 local terms energy: -302.315404 where: bonds (distance) C4'-P energy: -83.045 bonds (distance) P-C4' energy: -94.619 flat angles C4'-P-C4' energy: -68.784 flat angles P-C4'-P energy: -42.107 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -379.683715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.683715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.683715 (E_RNA) where: Base-Base interactions energy: -127.270 where: short stacking energy: -108.106 Base-Backbone interact. energy: 0.123 local terms energy: -252.537245 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -89.382 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -39.726 tors. eta vs tors. theta energy: 15.071 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: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1493.868250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.868250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.868250 (E_RNA) where: Base-Base interactions energy: -991.326 where: short stacking energy: -462.158 Base-Backbone interact. energy: -1.285 local terms energy: -501.257063 where: bonds (distance) C4'-P energy: -103.474 bonds (distance) P-C4' energy: -90.127 flat angles C4'-P-C4' energy: -107.528 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -128.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1421.876066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.876066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.876066 (E_RNA) where: Base-Base interactions energy: -920.478 where: short stacking energy: -436.532 Base-Backbone interact. energy: -1.184 local terms energy: -500.214853 where: bonds (distance) C4'-P energy: -92.943 bonds (distance) P-C4' energy: -94.777 flat angles C4'-P-C4' energy: -113.888 flat angles P-C4'-P energy: -65.592 tors. eta vs tors. theta energy: -133.015 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: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1309.642831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.642831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.642831 (E_RNA) where: Base-Base interactions energy: -838.854 where: short stacking energy: -414.471 Base-Backbone interact. energy: -1.341 local terms energy: -469.447192 where: bonds (distance) C4'-P energy: -92.004 bonds (distance) P-C4' energy: -102.958 flat angles C4'-P-C4' energy: -97.241 flat angles P-C4'-P energy: -65.105 tors. eta vs tors. theta energy: -112.139 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: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1177.726446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.726446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.726446 (E_RNA) where: Base-Base interactions energy: -752.110 where: short stacking energy: -348.146 Base-Backbone interact. energy: -1.200 local terms energy: -424.417186 where: bonds (distance) C4'-P energy: -84.418 bonds (distance) P-C4' energy: -87.562 flat angles C4'-P-C4' energy: -89.653 flat angles P-C4'-P energy: -68.132 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1103.956609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.956609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.956609 (E_RNA) where: Base-Base interactions energy: -696.785 where: short stacking energy: -319.263 Base-Backbone interact. energy: -1.083 local terms energy: -406.088675 where: bonds (distance) C4'-P energy: -88.885 bonds (distance) P-C4' energy: -86.118 flat angles C4'-P-C4' energy: -84.532 flat angles P-C4'-P energy: -53.040 tors. eta vs tors. theta energy: -93.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -963.225073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.225073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.225073 (E_RNA) where: Base-Base interactions energy: -576.682 where: short stacking energy: -266.918 Base-Backbone interact. energy: -2.050 local terms energy: -384.493023 where: bonds (distance) C4'-P energy: -82.736 bonds (distance) P-C4' energy: -88.203 flat angles C4'-P-C4' energy: -93.695 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -51.722 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: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -857.486052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.486052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.486052 (E_RNA) where: Base-Base interactions energy: -532.674 where: short stacking energy: -268.203 Base-Backbone interact. energy: -2.197 local terms energy: -322.614563 where: bonds (distance) C4'-P energy: -74.565 bonds (distance) P-C4' energy: -65.887 flat angles C4'-P-C4' energy: -75.935 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -60.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -715.936179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.936179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.936179 (E_RNA) where: Base-Base interactions energy: -410.765 where: short stacking energy: -189.174 Base-Backbone interact. energy: -0.055 local terms energy: -305.115273 where: bonds (distance) C4'-P energy: -79.618 bonds (distance) P-C4' energy: -84.572 flat angles C4'-P-C4' energy: -83.488 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -587.622483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.622483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.622483 (E_RNA) where: Base-Base interactions energy: -324.450 where: short stacking energy: -173.698 Base-Backbone interact. energy: 3.020 local terms energy: -266.192439 where: bonds (distance) C4'-P energy: -64.133 bonds (distance) P-C4' energy: -85.300 flat angles C4'-P-C4' energy: -71.489 flat angles P-C4'-P energy: -42.472 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -382.295096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.295096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.295096 (E_RNA) where: Base-Base interactions energy: -122.292 where: short stacking energy: -91.631 Base-Backbone interact. energy: -0.843 local terms energy: -259.159829 where: bonds (distance) C4'-P energy: -85.239 bonds (distance) P-C4' energy: -91.236 flat angles C4'-P-C4' energy: -63.657 flat angles P-C4'-P energy: -31.119 tors. eta vs tors. theta energy: 12.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1502.786591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.786591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.786591 (E_RNA) where: Base-Base interactions energy: -1021.620 where: short stacking energy: -443.265 Base-Backbone interact. energy: -1.264 local terms energy: -479.902559 where: bonds (distance) C4'-P energy: -90.882 bonds (distance) P-C4' energy: -93.205 flat angles C4'-P-C4' energy: -110.127 flat angles P-C4'-P energy: -60.869 tors. eta vs tors. theta energy: -124.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1412.837457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.837457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.837457 (E_RNA) where: Base-Base interactions energy: -928.846 where: short stacking energy: -433.760 Base-Backbone interact. energy: -1.547 local terms energy: -482.445174 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -92.781 flat angles C4'-P-C4' energy: -95.081 flat angles P-C4'-P energy: -80.826 tors. eta vs tors. theta energy: -115.404 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: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1332.156250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.156250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.156250 (E_RNA) where: Base-Base interactions energy: -867.485 where: short stacking energy: -431.788 Base-Backbone interact. energy: -2.452 local terms energy: -462.219336 where: bonds (distance) C4'-P energy: -99.168 bonds (distance) P-C4' energy: -89.217 flat angles C4'-P-C4' energy: -102.800 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -116.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1222.128066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.128066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.128066 (E_RNA) where: Base-Base interactions energy: -788.936 where: short stacking energy: -355.524 Base-Backbone interact. energy: -2.584 local terms energy: -430.607585 where: bonds (distance) C4'-P energy: -103.316 bonds (distance) P-C4' energy: -91.326 flat angles C4'-P-C4' energy: -87.090 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -92.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1129.191463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.191463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.191463 (E_RNA) where: Base-Base interactions energy: -733.762 where: short stacking energy: -366.018 Base-Backbone interact. energy: -0.290 local terms energy: -395.139453 where: bonds (distance) C4'-P energy: -79.629 bonds (distance) P-C4' energy: -76.946 flat angles C4'-P-C4' energy: -84.390 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -106.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1005.976141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.976141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.976141 (E_RNA) where: Base-Base interactions energy: -622.574 where: short stacking energy: -304.836 Base-Backbone interact. energy: -0.989 local terms energy: -382.412973 where: bonds (distance) C4'-P energy: -73.203 bonds (distance) P-C4' energy: -99.013 flat angles C4'-P-C4' energy: -83.931 flat angles P-C4'-P energy: -46.220 tors. eta vs tors. theta energy: -80.046 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: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -908.982475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.982475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.982475 (E_RNA) where: Base-Base interactions energy: -551.588 where: short stacking energy: -255.308 Base-Backbone interact. energy: -0.255 local terms energy: -357.138791 where: bonds (distance) C4'-P energy: -85.624 bonds (distance) P-C4' energy: -79.983 flat angles C4'-P-C4' energy: -77.492 flat angles P-C4'-P energy: -54.371 tors. eta vs tors. theta energy: -59.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -740.368421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.368421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.368421 (E_RNA) where: Base-Base interactions energy: -417.341 where: short stacking energy: -238.615 Base-Backbone interact. energy: 3.696 local terms energy: -326.722762 where: bonds (distance) C4'-P energy: -80.621 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -83.967 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -34.020 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: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -607.080132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.080132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.080132 (E_RNA) where: Base-Base interactions energy: -306.255 where: short stacking energy: -141.044 Base-Backbone interact. energy: -1.803 local terms energy: -299.021584 where: bonds (distance) C4'-P energy: -76.041 bonds (distance) P-C4' energy: -87.296 flat angles C4'-P-C4' energy: -77.043 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: -3.220 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: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -380.552986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.552986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.552986 (E_RNA) where: Base-Base interactions energy: -140.198 where: short stacking energy: -62.011 Base-Backbone interact. energy: 3.472 local terms energy: -243.827439 where: bonds (distance) C4'-P energy: -92.347 bonds (distance) P-C4' energy: -79.540 flat angles C4'-P-C4' energy: -66.077 flat angles P-C4'-P energy: -40.102 tors. eta vs tors. theta energy: 34.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1501.381639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.381639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.381639 (E_RNA) where: Base-Base interactions energy: -999.521 where: short stacking energy: -426.066 Base-Backbone interact. energy: -1.179 local terms energy: -500.680922 where: bonds (distance) C4'-P energy: -94.740 bonds (distance) P-C4' energy: -101.678 flat angles C4'-P-C4' energy: -108.416 flat angles P-C4'-P energy: -73.049 tors. eta vs tors. theta energy: -122.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1422.638949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.638949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.638949 (E_RNA) where: Base-Base interactions energy: -934.946 where: short stacking energy: -454.824 Base-Backbone interact. energy: -0.561 local terms energy: -487.131852 where: bonds (distance) C4'-P energy: -97.139 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -73.893 tors. eta vs tors. theta energy: -121.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1318.272651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.272651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.272651 (E_RNA) where: Base-Base interactions energy: -855.816 where: short stacking energy: -401.091 Base-Backbone interact. energy: -1.213 local terms energy: -461.243568 where: bonds (distance) C4'-P energy: -84.177 bonds (distance) P-C4' energy: -100.446 flat angles C4'-P-C4' energy: -89.142 flat angles P-C4'-P energy: -72.582 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: 201 Temperature: 1.050000 Total energy: -1157.829342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.829342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.829342 (E_RNA) where: Base-Base interactions energy: -741.466 where: short stacking energy: -361.603 Base-Backbone interact. energy: -1.091 local terms energy: -415.271964 where: bonds (distance) C4'-P energy: -92.711 bonds (distance) P-C4' energy: -87.232 flat angles C4'-P-C4' energy: -85.655 flat angles P-C4'-P energy: -59.538 tors. eta vs tors. theta energy: -90.136 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: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1155.797912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.797912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.797912 (E_RNA) where: Base-Base interactions energy: -760.100 where: short stacking energy: -335.367 Base-Backbone interact. energy: -1.591 local terms energy: -394.106720 where: bonds (distance) C4'-P energy: -93.437 bonds (distance) P-C4' energy: -84.215 flat angles C4'-P-C4' energy: -86.594 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: -73.453 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: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -979.814954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.814954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.814954 (E_RNA) where: Base-Base interactions energy: -602.810 where: short stacking energy: -287.241 Base-Backbone interact. energy: -2.090 local terms energy: -374.915632 where: bonds (distance) C4'-P energy: -87.044 bonds (distance) P-C4' energy: -84.388 flat angles C4'-P-C4' energy: -89.448 flat angles P-C4'-P energy: -63.716 tors. eta vs tors. theta energy: -50.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -929.163714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.163714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.163714 (E_RNA) where: Base-Base interactions energy: -583.911 where: short stacking energy: -252.992 Base-Backbone interact. energy: 2.506 local terms energy: -347.758811 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -82.439 flat angles C4'-P-C4' energy: -80.032 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -51.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -725.933861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.933861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.933861 (E_RNA) where: Base-Base interactions energy: -416.995 where: short stacking energy: -218.068 Base-Backbone interact. energy: -5.189 local terms energy: -303.749459 where: bonds (distance) C4'-P energy: -71.087 bonds (distance) P-C4' energy: -98.793 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -23.283 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: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -593.758331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.758331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.758331 (E_RNA) where: Base-Base interactions energy: -290.992 where: short stacking energy: -178.183 Base-Backbone interact. energy: 0.901 local terms energy: -303.668108 where: bonds (distance) C4'-P energy: -73.117 bonds (distance) P-C4' energy: -85.247 flat angles C4'-P-C4' energy: -83.941 flat angles P-C4'-P energy: -41.074 tors. eta vs tors. theta energy: -20.289 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: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -367.909594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.909594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.909594 (E_RNA) where: Base-Base interactions energy: -125.132 where: short stacking energy: -118.264 Base-Backbone interact. energy: 0.665 local terms energy: -243.442935 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -85.240 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -24.393 tors. eta vs tors. theta energy: 7.105 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: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1476.951507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.951507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.951507 (E_RNA) where: Base-Base interactions energy: -964.253 where: short stacking energy: -405.907 Base-Backbone interact. energy: -1.539 local terms energy: -511.159930 where: bonds (distance) C4'-P energy: -103.412 bonds (distance) P-C4' energy: -101.176 flat angles C4'-P-C4' energy: -112.685 flat angles P-C4'-P energy: -66.994 tors. eta vs tors. theta energy: -126.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1392.224912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.224912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.224912 (E_RNA) where: Base-Base interactions energy: -912.206 where: short stacking energy: -437.399 Base-Backbone interact. energy: -0.392 local terms energy: -479.627692 where: bonds (distance) C4'-P energy: -92.391 bonds (distance) P-C4' energy: -86.942 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -129.818 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: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1298.881326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.881326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.881326 (E_RNA) where: Base-Base interactions energy: -842.469 where: short stacking energy: -401.366 Base-Backbone interact. energy: -0.582 local terms energy: -455.830076 where: bonds (distance) C4'-P energy: -93.080 bonds (distance) P-C4' energy: -83.542 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -63.732 tors. eta vs tors. theta energy: -107.042 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: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1187.816472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.816472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.816472 (E_RNA) where: Base-Base interactions energy: -767.198 where: short stacking energy: -376.669 Base-Backbone interact. energy: 1.712 local terms energy: -422.329607 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -89.814 flat angles P-C4'-P energy: -56.162 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: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1159.666154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.666154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.666154 (E_RNA) where: Base-Base interactions energy: -759.660 where: short stacking energy: -333.419 Base-Backbone interact. energy: -1.778 local terms energy: -398.227998 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -84.708 flat angles C4'-P-C4' energy: -78.570 flat angles P-C4'-P energy: -51.789 tors. eta vs tors. theta energy: -91.503 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: 6, replica: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -958.112885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.112885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.112885 (E_RNA) where: Base-Base interactions energy: -576.624 where: short stacking energy: -279.731 Base-Backbone interact. energy: -0.836 local terms energy: -380.653164 where: bonds (distance) C4'-P energy: -77.020 bonds (distance) P-C4' energy: -93.707 flat angles C4'-P-C4' energy: -84.432 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -61.420 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: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -926.035233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.035233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.035233 (E_RNA) where: Base-Base interactions energy: -584.241 where: short stacking energy: -270.905 Base-Backbone interact. energy: -1.896 local terms energy: -339.898463 where: bonds (distance) C4'-P energy: -71.906 bonds (distance) P-C4' energy: -67.402 flat angles C4'-P-C4' energy: -88.125 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: -65.558 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: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -731.029358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.029358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.029358 (E_RNA) where: Base-Base interactions energy: -412.250 where: short stacking energy: -211.423 Base-Backbone interact. energy: 2.498 local terms energy: -321.276755 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -94.018 flat angles C4'-P-C4' energy: -75.906 flat angles P-C4'-P energy: -53.767 tors. eta vs tors. theta energy: -26.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -600.115404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.115404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.115404 (E_RNA) where: Base-Base interactions energy: -322.249 where: short stacking energy: -183.427 Base-Backbone interact. energy: -2.196 local terms energy: -275.670109 where: bonds (distance) C4'-P energy: -74.300 bonds (distance) P-C4' energy: -69.288 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -14.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -395.627539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.627539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.627539 (E_RNA) where: Base-Base interactions energy: -143.482 where: short stacking energy: -113.414 Base-Backbone interact. energy: 4.169 local terms energy: -256.314952 where: bonds (distance) C4'-P energy: -82.056 bonds (distance) P-C4' energy: -80.558 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -40.321 tors. eta vs tors. theta energy: 14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1448.411795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.411795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.411795 (E_RNA) where: Base-Base interactions energy: -975.231 where: short stacking energy: -425.032 Base-Backbone interact. energy: -2.111 local terms energy: -471.070006 where: bonds (distance) C4'-P energy: -93.638 bonds (distance) P-C4' energy: -94.668 flat angles C4'-P-C4' energy: -104.427 flat angles P-C4'-P energy: -57.149 tors. eta vs tors. theta energy: -121.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1427.566236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.566236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.566236 (E_RNA) where: Base-Base interactions energy: -925.148 where: short stacking energy: -451.173 Base-Backbone interact. energy: -1.768 local terms energy: -500.650467 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -93.909 flat angles C4'-P-C4' energy: -111.760 flat angles P-C4'-P energy: -76.575 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: 3, replica: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1316.652630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.652630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.652630 (E_RNA) where: Base-Base interactions energy: -839.750 where: short stacking energy: -390.461 Base-Backbone interact. energy: 0.591 local terms energy: -477.494142 where: bonds (distance) C4'-P energy: -101.459 bonds (distance) P-C4' energy: -96.759 flat angles C4'-P-C4' energy: -96.355 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -116.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1133.875692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.875692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.875692 (E_RNA) where: Base-Base interactions energy: -730.644 where: short stacking energy: -327.025 Base-Backbone interact. energy: -1.592 local terms energy: -401.640132 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -88.610 flat angles C4'-P-C4' energy: -88.993 flat angles P-C4'-P energy: -58.633 tors. eta vs tors. theta energy: -79.130 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: 203 Temperature: 1.100000 Total energy: -1120.132599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.132599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.132599 (E_RNA) where: Base-Base interactions energy: -707.334 where: short stacking energy: -313.553 Base-Backbone interact. energy: 0.956 local terms energy: -413.754213 where: bonds (distance) C4'-P energy: -79.336 bonds (distance) P-C4' energy: -92.604 flat angles C4'-P-C4' energy: -97.264 flat angles P-C4'-P energy: -57.233 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: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -989.544889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.544889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.544889 (E_RNA) where: Base-Base interactions energy: -636.388 where: short stacking energy: -287.908 Base-Backbone interact. energy: 1.942 local terms energy: -355.098832 where: bonds (distance) C4'-P energy: -83.940 bonds (distance) P-C4' energy: -83.952 flat angles C4'-P-C4' energy: -87.254 flat angles P-C4'-P energy: -42.383 tors. eta vs tors. theta energy: -57.569 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: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -857.782125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.782125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.782125 (E_RNA) where: Base-Base interactions energy: -524.100 where: short stacking energy: -245.673 Base-Backbone interact. energy: -0.724 local terms energy: -332.957837 where: bonds (distance) C4'-P energy: -72.186 bonds (distance) P-C4' energy: -87.952 flat angles C4'-P-C4' energy: -81.765 flat angles P-C4'-P energy: -42.534 tors. eta vs tors. theta energy: -48.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -759.975376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.975376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.975376 (E_RNA) where: Base-Base interactions energy: -412.904 where: short stacking energy: -200.759 Base-Backbone interact. energy: 0.874 local terms energy: -347.945150 where: bonds (distance) C4'-P energy: -90.996 bonds (distance) P-C4' energy: -85.275 flat angles C4'-P-C4' energy: -82.595 flat angles P-C4'-P energy: -64.051 tors. eta vs tors. theta energy: -25.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -583.616028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.616028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.616028 (E_RNA) where: Base-Base interactions energy: -302.511 where: short stacking energy: -164.769 Base-Backbone interact. energy: -1.790 local terms energy: -279.315480 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -88.930 flat angles C4'-P-C4' energy: -68.399 flat angles P-C4'-P energy: -48.788 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -371.834101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.834101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.834101 (E_RNA) where: Base-Base interactions energy: -131.029 where: short stacking energy: -112.437 Base-Backbone interact. energy: 5.251 local terms energy: -246.056310 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -63.648 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: 17.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1493.638181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.638181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.638181 (E_RNA) where: Base-Base interactions energy: -1016.670 where: short stacking energy: -454.409 Base-Backbone interact. energy: -0.747 local terms energy: -476.220600 where: bonds (distance) C4'-P energy: -94.778 bonds (distance) P-C4' energy: -86.648 flat angles C4'-P-C4' energy: -102.351 flat angles P-C4'-P energy: -69.272 tors. eta vs tors. theta energy: -123.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1395.170260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.170260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.170260 (E_RNA) where: Base-Base interactions energy: -909.919 where: short stacking energy: -407.412 Base-Backbone interact. energy: -3.476 local terms energy: -481.775015 where: bonds (distance) C4'-P energy: -89.817 bonds (distance) P-C4' energy: -105.040 flat angles C4'-P-C4' energy: -99.145 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -111.516 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: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1311.212195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.212195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.212195 (E_RNA) where: Base-Base interactions energy: -858.171 where: short stacking energy: -399.897 Base-Backbone interact. energy: -1.324 local terms energy: -451.717450 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -81.368 flat angles C4'-P-C4' energy: -98.518 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -112.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1179.726239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.726239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.726239 (E_RNA) where: Base-Base interactions energy: -763.115 where: short stacking energy: -343.138 Base-Backbone interact. energy: -1.558 local terms energy: -415.052703 where: bonds (distance) C4'-P energy: -89.451 bonds (distance) P-C4' energy: -82.663 flat angles C4'-P-C4' energy: -97.661 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -85.425 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: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1130.550192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.550192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.550192 (E_RNA) where: Base-Base interactions energy: -741.592 where: short stacking energy: -366.815 Base-Backbone interact. energy: -0.131 local terms energy: -388.826742 where: bonds (distance) C4'-P energy: -74.514 bonds (distance) P-C4' energy: -71.068 flat angles C4'-P-C4' energy: -98.186 flat angles P-C4'-P energy: -57.668 tors. eta vs tors. theta energy: -87.391 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: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -934.127897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.127897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.127897 (E_RNA) where: Base-Base interactions energy: -571.233 where: short stacking energy: -256.723 Base-Backbone interact. energy: 0.454 local terms energy: -363.348319 where: bonds (distance) C4'-P energy: -78.963 bonds (distance) P-C4' energy: -87.018 flat angles C4'-P-C4' energy: -89.177 flat angles P-C4'-P energy: -55.318 tors. eta vs tors. theta energy: -52.873 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: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -852.219645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.219645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.219645 (E_RNA) where: Base-Base interactions energy: -521.770 where: short stacking energy: -243.264 Base-Backbone interact. energy: -1.879 local terms energy: -328.570800 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -76.541 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -42.582 tors. eta vs tors. theta energy: -33.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -760.885124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.885124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.885124 (E_RNA) where: Base-Base interactions energy: -421.356 where: short stacking energy: -209.439 Base-Backbone interact. energy: -2.422 local terms energy: -337.107382 where: bonds (distance) C4'-P energy: -63.515 bonds (distance) P-C4' energy: -99.249 flat angles C4'-P-C4' energy: -90.159 flat angles P-C4'-P energy: -44.401 tors. eta vs tors. theta energy: -39.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -575.145420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.145420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.145420 (E_RNA) where: Base-Base interactions energy: -302.859 where: short stacking energy: -172.277 Base-Backbone interact. energy: -0.464 local terms energy: -271.822124 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -94.343 flat angles C4'-P-C4' energy: -59.874 flat angles P-C4'-P energy: -36.828 tors. eta vs tors. theta energy: -0.361 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: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -373.834124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.834124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.834124 (E_RNA) where: Base-Base interactions energy: -129.084 where: short stacking energy: -96.500 Base-Backbone interact. energy: 0.295 local terms energy: -245.044639 where: bonds (distance) C4'-P energy: -94.494 bonds (distance) P-C4' energy: -58.425 flat angles C4'-P-C4' energy: -64.825 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: 14.609 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1527.411606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.411606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.411606 (E_RNA) where: Base-Base interactions energy: -1046.987 where: short stacking energy: -462.644 Base-Backbone interact. energy: -2.515 local terms energy: -477.909540 where: bonds (distance) C4'-P energy: -84.649 bonds (distance) P-C4' energy: -89.007 flat angles C4'-P-C4' energy: -102.650 flat angles P-C4'-P energy: -67.707 tors. eta vs tors. theta energy: -133.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1435.033735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.033735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.033735 (E_RNA) where: Base-Base interactions energy: -948.977 where: short stacking energy: -442.274 Base-Backbone interact. energy: -0.359 local terms energy: -485.697941 where: bonds (distance) C4'-P energy: -96.257 bonds (distance) P-C4' energy: -90.719 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -70.119 tors. eta vs tors. theta energy: -123.507 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: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1293.278754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.278754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.278754 (E_RNA) where: Base-Base interactions energy: -849.146 where: short stacking energy: -392.857 Base-Backbone interact. energy: -0.545 local terms energy: -443.587572 where: bonds (distance) C4'-P energy: -80.696 bonds (distance) P-C4' energy: -92.391 flat angles C4'-P-C4' energy: -94.931 flat angles P-C4'-P energy: -72.492 tors. eta vs tors. theta energy: -103.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1209.873359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.873359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.873359 (E_RNA) where: Base-Base interactions energy: -782.948 where: short stacking energy: -382.069 Base-Backbone interact. energy: -2.046 local terms energy: -424.878686 where: bonds (distance) C4'-P energy: -80.295 bonds (distance) P-C4' energy: -84.848 flat angles C4'-P-C4' energy: -89.984 flat angles P-C4'-P energy: -67.721 tors. eta vs tors. theta energy: -102.031 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: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1122.698922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.698922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.698922 (E_RNA) where: Base-Base interactions energy: -716.050 where: short stacking energy: -314.856 Base-Backbone interact. energy: -1.540 local terms energy: -405.108965 where: bonds (distance) C4'-P energy: -87.272 bonds (distance) P-C4' energy: -88.495 flat angles C4'-P-C4' energy: -89.999 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -83.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -897.462221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.462221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.462221 (E_RNA) where: Base-Base interactions energy: -544.841 where: short stacking energy: -271.307 Base-Backbone interact. energy: -2.567 local terms energy: -350.053583 where: bonds (distance) C4'-P energy: -77.591 bonds (distance) P-C4' energy: -79.940 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -68.428 tors. eta vs tors. theta energy: -43.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -889.279987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.279987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.279987 (E_RNA) where: Base-Base interactions energy: -548.256 where: short stacking energy: -245.595 Base-Backbone interact. energy: 1.983 local terms energy: -343.007127 where: bonds (distance) C4'-P energy: -80.178 bonds (distance) P-C4' energy: -94.712 flat angles C4'-P-C4' energy: -66.118 flat angles P-C4'-P energy: -65.684 tors. eta vs tors. theta energy: -36.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -774.219463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.219463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.219463 (E_RNA) where: Base-Base interactions energy: -456.978 where: short stacking energy: -245.880 Base-Backbone interact. energy: 1.620 local terms energy: -318.862094 where: bonds (distance) C4'-P energy: -67.426 bonds (distance) P-C4' energy: -85.728 flat angles C4'-P-C4' energy: -80.491 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: -42.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -583.540700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.540700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.540700 (E_RNA) where: Base-Base interactions energy: -302.054 where: short stacking energy: -166.991 Base-Backbone interact. energy: 2.969 local terms energy: -284.455482 where: bonds (distance) C4'-P energy: -86.173 bonds (distance) P-C4' energy: -81.654 flat angles C4'-P-C4' energy: -79.028 flat angles P-C4'-P energy: -35.166 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: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -410.929083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.929083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.929083 (E_RNA) where: Base-Base interactions energy: -162.831 where: short stacking energy: -97.124 Base-Backbone interact. energy: 3.606 local terms energy: -251.704235 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -76.783 flat angles C4'-P-C4' energy: -71.429 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: 29.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1495.383865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.383865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.383865 (E_RNA) where: Base-Base interactions energy: -993.995 where: short stacking energy: -440.039 Base-Backbone interact. energy: -0.376 local terms energy: -501.013244 where: bonds (distance) C4'-P energy: -88.708 bonds (distance) P-C4' energy: -98.688 flat angles C4'-P-C4' energy: -109.236 flat angles P-C4'-P energy: -79.791 tors. eta vs tors. theta energy: -124.590 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: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1424.338670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.338670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.338670 (E_RNA) where: Base-Base interactions energy: -924.715 where: short stacking energy: -409.200 Base-Backbone interact. energy: 1.277 local terms energy: -500.900716 where: bonds (distance) C4'-P energy: -98.137 bonds (distance) P-C4' energy: -98.490 flat angles C4'-P-C4' energy: -110.884 flat angles P-C4'-P energy: -74.157 tors. eta vs tors. theta energy: -119.233 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: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1354.044211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.044211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.044211 (E_RNA) where: Base-Base interactions energy: -895.264 where: short stacking energy: -444.919 Base-Backbone interact. energy: -0.228 local terms energy: -458.552634 where: bonds (distance) C4'-P energy: -87.998 bonds (distance) P-C4' energy: -89.530 flat angles C4'-P-C4' energy: -100.463 flat angles P-C4'-P energy: -63.428 tors. eta vs tors. theta energy: -117.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1207.214441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.214441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.214441 (E_RNA) where: Base-Base interactions energy: -800.801 where: short stacking energy: -372.270 Base-Backbone interact. energy: -0.693 local terms energy: -405.719682 where: bonds (distance) C4'-P energy: -86.939 bonds (distance) P-C4' energy: -76.099 flat angles C4'-P-C4' energy: -90.673 flat angles P-C4'-P energy: -51.488 tors. eta vs tors. theta energy: -100.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1092.123573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.123573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.123573 (E_RNA) where: Base-Base interactions energy: -683.848 where: short stacking energy: -300.618 Base-Backbone interact. energy: -1.408 local terms energy: -406.868219 where: bonds (distance) C4'-P energy: -93.318 bonds (distance) P-C4' energy: -89.647 flat angles C4'-P-C4' energy: -94.115 flat angles P-C4'-P energy: -55.820 tors. eta vs tors. theta energy: -73.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -914.142215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.142215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.142215 (E_RNA) where: Base-Base interactions energy: -544.609 where: short stacking energy: -253.190 Base-Backbone interact. energy: -3.650 local terms energy: -365.883720 where: bonds (distance) C4'-P energy: -83.313 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -94.026 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -44.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -917.264530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.264530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.264530 (E_RNA) where: Base-Base interactions energy: -561.851 where: short stacking energy: -262.671 Base-Backbone interact. energy: -4.107 local terms energy: -351.306212 where: bonds (distance) C4'-P energy: -83.143 bonds (distance) P-C4' energy: -84.152 flat angles C4'-P-C4' energy: -83.460 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -44.379 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: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -783.516686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.516686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.516686 (E_RNA) where: Base-Base interactions energy: -475.850 where: short stacking energy: -244.211 Base-Backbone interact. energy: 0.159 local terms energy: -307.825855 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -74.222 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -44.083 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: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -579.665796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.665796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.665796 (E_RNA) where: Base-Base interactions energy: -281.910 where: short stacking energy: -155.220 Base-Backbone interact. energy: -0.411 local terms energy: -297.345088 where: bonds (distance) C4'-P energy: -70.526 bonds (distance) P-C4' energy: -88.249 flat angles C4'-P-C4' energy: -85.176 flat angles P-C4'-P energy: -48.279 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -401.747745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.747745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.747745 (E_RNA) where: Base-Base interactions energy: -131.619 where: short stacking energy: -125.531 Base-Backbone interact. energy: 0.385 local terms energy: -270.513139 where: bonds (distance) C4'-P energy: -76.317 bonds (distance) P-C4' energy: -79.419 flat angles C4'-P-C4' energy: -71.460 flat angles P-C4'-P energy: -41.112 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1530.061927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.061927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.061927 (E_RNA) where: Base-Base interactions energy: -1032.533 where: short stacking energy: -472.622 Base-Backbone interact. energy: -1.395 local terms energy: -496.133773 where: bonds (distance) C4'-P energy: -98.838 bonds (distance) P-C4' energy: -92.100 flat angles C4'-P-C4' energy: -99.312 flat angles P-C4'-P energy: -60.148 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: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1390.375602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.375602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.375602 (E_RNA) where: Base-Base interactions energy: -901.870 where: short stacking energy: -446.570 Base-Backbone interact. energy: -1.435 local terms energy: -487.069995 where: bonds (distance) C4'-P energy: -105.248 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -89.199 flat angles P-C4'-P energy: -71.583 tors. eta vs tors. theta energy: -126.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1390.952119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.952119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.952119 (E_RNA) where: Base-Base interactions energy: -914.313 where: short stacking energy: -402.453 Base-Backbone interact. energy: -3.025 local terms energy: -473.614046 where: bonds (distance) C4'-P energy: -80.978 bonds (distance) P-C4' energy: -94.147 flat angles C4'-P-C4' energy: -99.043 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -117.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1126.243965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.243965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.243965 (E_RNA) where: Base-Base interactions energy: -741.284 where: short stacking energy: -318.094 Base-Backbone interact. energy: -0.294 local terms energy: -384.666274 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -92.058 flat angles C4'-P-C4' energy: -108.019 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -57.758 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: 207 Temperature: 1.100000 Total energy: -1093.085577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.085577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.085577 (E_RNA) where: Base-Base interactions energy: -684.639 where: short stacking energy: -336.523 Base-Backbone interact. energy: -2.379 local terms energy: -406.067681 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -86.378 flat angles C4'-P-C4' energy: -91.925 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: -90.074 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: 207 Temperature: 1.150000 Total energy: -1006.604532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.604532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.604532 (E_RNA) where: Base-Base interactions energy: -615.197 where: short stacking energy: -289.818 Base-Backbone interact. energy: -1.200 local terms energy: -390.208112 where: bonds (distance) C4'-P energy: -90.607 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -93.980 flat angles P-C4'-P energy: -59.212 tors. eta vs tors. theta energy: -56.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -880.015364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.015364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.015364 (E_RNA) where: Base-Base interactions energy: -548.406 where: short stacking energy: -253.108 Base-Backbone interact. energy: -0.115 local terms energy: -331.495087 where: bonds (distance) C4'-P energy: -81.214 bonds (distance) P-C4' energy: -85.651 flat angles C4'-P-C4' energy: -77.994 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: -42.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -768.392354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.392354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.392354 (E_RNA) where: Base-Base interactions energy: -451.163 where: short stacking energy: -256.289 Base-Backbone interact. energy: -1.632 local terms energy: -315.597097 where: bonds (distance) C4'-P energy: -68.777 bonds (distance) P-C4' energy: -75.512 flat angles C4'-P-C4' energy: -81.072 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -46.150 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: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -618.524779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.524779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.524779 (E_RNA) where: Base-Base interactions energy: -308.217 where: short stacking energy: -165.501 Base-Backbone interact. energy: 0.088 local terms energy: -310.395936 where: bonds (distance) C4'-P energy: -86.612 bonds (distance) P-C4' energy: -75.843 flat angles C4'-P-C4' energy: -77.457 flat angles P-C4'-P energy: -41.356 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: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -393.209252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.209252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.209252 (E_RNA) where: Base-Base interactions energy: -129.353 where: short stacking energy: -97.047 Base-Backbone interact. energy: 2.620 local terms energy: -266.476972 where: bonds (distance) C4'-P energy: -83.537 bonds (distance) P-C4' energy: -85.980 flat angles C4'-P-C4' energy: -63.560 flat angles P-C4'-P energy: -38.542 tors. eta vs tors. theta energy: 5.143 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: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1503.321208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.321208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.321208 (E_RNA) where: Base-Base interactions energy: -998.332 where: short stacking energy: -460.627 Base-Backbone interact. energy: -2.731 local terms energy: -502.258141 where: bonds (distance) C4'-P energy: -93.408 bonds (distance) P-C4' energy: -97.765 flat angles C4'-P-C4' energy: -109.742 flat angles P-C4'-P energy: -68.290 tors. eta vs tors. theta energy: -133.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1381.246524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.246524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.246524 (E_RNA) where: Base-Base interactions energy: -904.909 where: short stacking energy: -418.367 Base-Backbone interact. energy: -1.282 local terms energy: -475.056055 where: bonds (distance) C4'-P energy: -91.139 bonds (distance) P-C4' energy: -98.265 flat angles C4'-P-C4' energy: -95.100 flat angles P-C4'-P energy: -72.267 tors. eta vs tors. theta energy: -118.285 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: 3, replica: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1382.559553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.559553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.559553 (E_RNA) where: Base-Base interactions energy: -906.940 where: short stacking energy: -400.235 Base-Backbone interact. energy: 0.009 local terms energy: -475.628652 where: bonds (distance) C4'-P energy: -98.233 bonds (distance) P-C4' energy: -98.110 flat angles C4'-P-C4' energy: -99.900 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -120.751 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: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1178.087589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.087589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.087589 (E_RNA) where: Base-Base interactions energy: -757.142 where: short stacking energy: -360.022 Base-Backbone interact. energy: -1.247 local terms energy: -419.698527 where: bonds (distance) C4'-P energy: -91.153 bonds (distance) P-C4' energy: -85.388 flat angles C4'-P-C4' energy: -100.278 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -90.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1074.120878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.120878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.120878 (E_RNA) where: Base-Base interactions energy: -671.280 where: short stacking energy: -308.110 Base-Backbone interact. energy: -2.435 local terms energy: -400.406799 where: bonds (distance) C4'-P energy: -88.863 bonds (distance) P-C4' energy: -86.748 flat angles C4'-P-C4' energy: -90.128 flat angles P-C4'-P energy: -58.543 tors. eta vs tors. theta energy: -76.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -978.985415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.985415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.985415 (E_RNA) where: Base-Base interactions energy: -613.335 where: short stacking energy: -272.954 Base-Backbone interact. energy: -4.575 local terms energy: -361.075543 where: bonds (distance) C4'-P energy: -76.815 bonds (distance) P-C4' energy: -93.574 flat angles C4'-P-C4' energy: -96.672 flat angles P-C4'-P energy: -42.682 tors. eta vs tors. theta energy: -51.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -923.408439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.408439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.408439 (E_RNA) where: Base-Base interactions energy: -577.194 where: short stacking energy: -278.836 Base-Backbone interact. energy: 0.704 local terms energy: -346.918555 where: bonds (distance) C4'-P energy: -77.290 bonds (distance) P-C4' energy: -84.292 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -54.735 tors. eta vs tors. theta energy: -61.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -810.926079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.926079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.926079 (E_RNA) where: Base-Base interactions energy: -468.217 where: short stacking energy: -225.967 Base-Backbone interact. energy: -0.124 local terms energy: -342.584775 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -90.532 flat angles C4'-P-C4' energy: -72.809 flat angles P-C4'-P energy: -59.113 tors. eta vs tors. theta energy: -39.856 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: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -620.991896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.991896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.991896 (E_RNA) where: Base-Base interactions energy: -318.189 where: short stacking energy: -154.636 Base-Backbone interact. energy: -0.965 local terms energy: -301.837757 where: bonds (distance) C4'-P energy: -82.009 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -77.096 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: -5.644 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: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -398.744671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.744671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.744671 (E_RNA) where: Base-Base interactions energy: -154.159 where: short stacking energy: -111.127 Base-Backbone interact. energy: 0.790 local terms energy: -245.376131 where: bonds (distance) C4'-P energy: -81.989 bonds (distance) P-C4' energy: -74.050 flat angles C4'-P-C4' energy: -65.340 flat angles P-C4'-P energy: -38.133 tors. eta vs tors. theta energy: 14.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1510.940742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.940742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.940742 (E_RNA) where: Base-Base interactions energy: -1017.735 where: short stacking energy: -451.954 Base-Backbone interact. energy: 0.154 local terms energy: -493.360208 where: bonds (distance) C4'-P energy: -95.426 bonds (distance) P-C4' energy: -95.733 flat angles C4'-P-C4' energy: -102.529 flat angles P-C4'-P energy: -70.258 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: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1375.248482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.248482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.248482 (E_RNA) where: Base-Base interactions energy: -886.102 where: short stacking energy: -445.617 Base-Backbone interact. energy: -0.874 local terms energy: -488.272580 where: bonds (distance) C4'-P energy: -83.888 bonds (distance) P-C4' energy: -96.158 flat angles C4'-P-C4' energy: -107.042 flat angles P-C4'-P energy: -72.833 tors. eta vs tors. theta energy: -128.351 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: 209 Temperature: 1.000000 Total energy: -1378.548743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.548743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.548743 (E_RNA) where: Base-Base interactions energy: -904.063 where: short stacking energy: -407.629 Base-Backbone interact. energy: -0.340 local terms energy: -474.145834 where: bonds (distance) C4'-P energy: -90.009 bonds (distance) P-C4' energy: -92.612 flat angles C4'-P-C4' energy: -101.560 flat angles P-C4'-P energy: -71.240 tors. eta vs tors. theta energy: -118.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1197.547240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.547240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.547240 (E_RNA) where: Base-Base interactions energy: -793.484 where: short stacking energy: -365.314 Base-Backbone interact. energy: -2.329 local terms energy: -401.733872 where: bonds (distance) C4'-P energy: -71.043 bonds (distance) P-C4' energy: -81.119 flat angles C4'-P-C4' energy: -89.600 flat angles P-C4'-P energy: -64.223 tors. eta vs tors. theta energy: -95.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1104.138806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.138806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.138806 (E_RNA) where: Base-Base interactions energy: -715.400 where: short stacking energy: -325.571 Base-Backbone interact. energy: 1.154 local terms energy: -389.893399 where: bonds (distance) C4'-P energy: -84.733 bonds (distance) P-C4' energy: -87.501 flat angles C4'-P-C4' energy: -80.680 flat angles P-C4'-P energy: -65.278 tors. eta vs tors. theta energy: -71.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1008.010027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.010027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.010027 (E_RNA) where: Base-Base interactions energy: -633.531 where: short stacking energy: -292.083 Base-Backbone interact. energy: 1.558 local terms energy: -376.037342 where: bonds (distance) C4'-P energy: -91.369 bonds (distance) P-C4' energy: -87.175 flat angles C4'-P-C4' energy: -76.171 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -59.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -961.207144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.207144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.207144 (E_RNA) where: Base-Base interactions energy: -569.074 where: short stacking energy: -260.630 Base-Backbone interact. energy: -1.316 local terms energy: -390.817714 where: bonds (distance) C4'-P energy: -85.264 bonds (distance) P-C4' energy: -73.663 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -76.854 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: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -763.444161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.444161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.444161 (E_RNA) where: Base-Base interactions energy: -443.223 where: short stacking energy: -221.792 Base-Backbone interact. energy: -0.326 local terms energy: -319.894970 where: bonds (distance) C4'-P energy: -75.362 bonds (distance) P-C4' energy: -75.765 flat angles C4'-P-C4' energy: -89.835 flat angles P-C4'-P energy: -50.396 tors. eta vs tors. theta energy: -28.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -590.905749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.905749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.905749 (E_RNA) where: Base-Base interactions energy: -296.125 where: short stacking energy: -161.464 Base-Backbone interact. energy: 2.578 local terms energy: -297.359028 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -74.783 flat angles P-C4'-P energy: -26.025 tors. eta vs tors. theta energy: -6.935 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: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -382.013815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.013815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.013815 (E_RNA) where: Base-Base interactions energy: -129.251 where: short stacking energy: -119.787 Base-Backbone interact. energy: 1.804 local terms energy: -254.566005 where: bonds (distance) C4'-P energy: -71.992 bonds (distance) P-C4' energy: -80.219 flat angles C4'-P-C4' energy: -75.270 flat angles P-C4'-P energy: -26.790 tors. eta vs tors. theta energy: -0.295 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: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1509.126989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.126989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.126989 (E_RNA) where: Base-Base interactions energy: -1007.933 where: short stacking energy: -461.575 Base-Backbone interact. energy: -1.926 local terms energy: -499.268181 where: bonds (distance) C4'-P energy: -87.808 bonds (distance) P-C4' energy: -102.466 flat angles C4'-P-C4' energy: -105.183 flat angles P-C4'-P energy: -70.781 tors. eta vs tors. theta energy: -133.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1367.545757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.545757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.545757 (E_RNA) where: Base-Base interactions energy: -895.581 where: short stacking energy: -449.197 Base-Backbone interact. energy: -0.773 local terms energy: -471.192355 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -96.591 flat angles C4'-P-C4' energy: -105.473 flat angles P-C4'-P energy: -64.365 tors. eta vs tors. theta energy: -118.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1378.735732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.735732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.735732 (E_RNA) where: Base-Base interactions energy: -904.889 where: short stacking energy: -372.157 Base-Backbone interact. energy: -4.111 local terms energy: -469.735591 where: bonds (distance) C4'-P energy: -91.441 bonds (distance) P-C4' energy: -92.728 flat angles C4'-P-C4' energy: -103.352 flat angles P-C4'-P energy: -65.605 tors. eta vs tors. theta energy: -116.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1193.414075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.414075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.414075 (E_RNA) where: Base-Base interactions energy: -756.537 where: short stacking energy: -364.152 Base-Backbone interact. energy: 0.085 local terms energy: -436.962691 where: bonds (distance) C4'-P energy: -87.793 bonds (distance) P-C4' energy: -93.711 flat angles C4'-P-C4' energy: -94.596 flat angles P-C4'-P energy: -69.886 tors. eta vs tors. theta energy: -90.975 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: 210 Temperature: 1.100000 Total energy: -1138.892675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.892675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.892675 (E_RNA) where: Base-Base interactions energy: -732.755 where: short stacking energy: -364.264 Base-Backbone interact. energy: -0.919 local terms energy: -405.218146 where: bonds (distance) C4'-P energy: -79.073 bonds (distance) P-C4' energy: -94.070 flat angles C4'-P-C4' energy: -89.610 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -102.578 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: 6, replica: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1009.155793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.155793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.155793 (E_RNA) where: Base-Base interactions energy: -633.170 where: short stacking energy: -300.181 Base-Backbone interact. energy: -0.138 local terms energy: -375.847834 where: bonds (distance) C4'-P energy: -76.111 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -77.199 flat angles P-C4'-P energy: -59.771 tors. eta vs tors. theta energy: -72.124 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: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -899.323273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.323273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.323273 (E_RNA) where: Base-Base interactions energy: -531.822 where: short stacking energy: -272.384 Base-Backbone interact. energy: -0.102 local terms energy: -367.399545 where: bonds (distance) C4'-P energy: -94.327 bonds (distance) P-C4' energy: -76.940 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -63.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -785.090988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.090988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.090988 (E_RNA) where: Base-Base interactions energy: -452.100 where: short stacking energy: -242.247 Base-Backbone interact. energy: -1.125 local terms energy: -331.865455 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -91.939 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -37.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -586.177701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.177701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.177701 (E_RNA) where: Base-Base interactions energy: -326.883 where: short stacking energy: -174.654 Base-Backbone interact. energy: 1.584 local terms energy: -260.879277 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -83.477 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -23.520 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -378.836391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.836391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.836391 (E_RNA) where: Base-Base interactions energy: -151.140 where: short stacking energy: -110.563 Base-Backbone interact. energy: -0.939 local terms energy: -226.758245 where: bonds (distance) C4'-P energy: -64.391 bonds (distance) P-C4' energy: -84.064 flat angles C4'-P-C4' energy: -66.754 flat angles P-C4'-P energy: -32.307 tors. eta vs tors. theta energy: 20.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1498.364863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.364863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.364863 (E_RNA) where: Base-Base interactions energy: -1003.570 where: short stacking energy: -442.102 Base-Backbone interact. energy: -1.224 local terms energy: -493.571288 where: bonds (distance) C4'-P energy: -93.332 bonds (distance) P-C4' energy: -103.460 flat angles C4'-P-C4' energy: -105.705 flat angles P-C4'-P energy: -67.909 tors. eta vs tors. theta energy: -123.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1383.175513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.175513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.175513 (E_RNA) where: Base-Base interactions energy: -893.331 where: short stacking energy: -431.062 Base-Backbone interact. energy: -0.472 local terms energy: -489.373059 where: bonds (distance) C4'-P energy: -96.120 bonds (distance) P-C4' energy: -99.696 flat angles C4'-P-C4' energy: -104.291 flat angles P-C4'-P energy: -63.632 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: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1344.696191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.696191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.696191 (E_RNA) where: Base-Base interactions energy: -893.538 where: short stacking energy: -396.544 Base-Backbone interact. energy: -0.295 local terms energy: -450.863531 where: bonds (distance) C4'-P energy: -78.784 bonds (distance) P-C4' energy: -85.315 flat angles C4'-P-C4' energy: -96.112 flat angles P-C4'-P energy: -73.478 tors. eta vs tors. theta energy: -117.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1174.003440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.003440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.003440 (E_RNA) where: Base-Base interactions energy: -756.340 where: short stacking energy: -347.804 Base-Backbone interact. energy: -0.226 local terms energy: -417.437724 where: bonds (distance) C4'-P energy: -85.283 bonds (distance) P-C4' energy: -92.772 flat angles C4'-P-C4' energy: -97.616 flat angles P-C4'-P energy: -52.975 tors. eta vs tors. theta energy: -88.791 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: 211 Temperature: 1.100000 Total energy: -1096.623486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.623486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.623486 (E_RNA) where: Base-Base interactions energy: -679.456 where: short stacking energy: -326.968 Base-Backbone interact. energy: -1.314 local terms energy: -415.854089 where: bonds (distance) C4'-P energy: -93.083 bonds (distance) P-C4' energy: -85.129 flat angles C4'-P-C4' energy: -93.516 flat angles P-C4'-P energy: -51.467 tors. eta vs tors. theta energy: -92.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1011.678882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.678882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.678882 (E_RNA) where: Base-Base interactions energy: -657.113 where: short stacking energy: -288.337 Base-Backbone interact. energy: 1.447 local terms energy: -356.012820 where: bonds (distance) C4'-P energy: -61.048 bonds (distance) P-C4' energy: -90.748 flat angles C4'-P-C4' energy: -80.883 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: -58.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -959.140638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.140638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.140638 (E_RNA) where: Base-Base interactions energy: -628.280 where: short stacking energy: -287.529 Base-Backbone interact. energy: -2.980 local terms energy: -327.880187 where: bonds (distance) C4'-P energy: -70.858 bonds (distance) P-C4' energy: -70.833 flat angles C4'-P-C4' energy: -81.998 flat angles P-C4'-P energy: -52.151 tors. eta vs tors. theta energy: -52.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -747.856268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.856268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.856268 (E_RNA) where: Base-Base interactions energy: -442.508 where: short stacking energy: -228.056 Base-Backbone interact. energy: -0.078 local terms energy: -305.270372 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -84.008 flat angles C4'-P-C4' energy: -71.053 flat angles P-C4'-P energy: -57.671 tors. eta vs tors. theta energy: -18.800 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: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -613.938115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.938115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.938115 (E_RNA) where: Base-Base interactions energy: -304.953 where: short stacking energy: -179.252 Base-Backbone interact. energy: 6.290 local terms energy: -315.275164 where: bonds (distance) C4'-P energy: -91.006 bonds (distance) P-C4' energy: -91.397 flat angles C4'-P-C4' energy: -84.712 flat angles P-C4'-P energy: -37.193 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -357.272865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.272865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.272865 (E_RNA) where: Base-Base interactions energy: -101.343 where: short stacking energy: -94.465 Base-Backbone interact. energy: -1.518 local terms energy: -254.412567 where: bonds (distance) C4'-P energy: -84.788 bonds (distance) P-C4' energy: -87.033 flat angles C4'-P-C4' energy: -68.466 flat angles P-C4'-P energy: -28.917 tors. eta vs tors. theta energy: 14.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1535.578893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.578893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.578893 (E_RNA) where: Base-Base interactions energy: -1021.640 where: short stacking energy: -467.190 Base-Backbone interact. energy: 2.416 local terms energy: -516.354722 where: bonds (distance) C4'-P energy: -104.731 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -69.596 tors. eta vs tors. theta energy: -138.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1353.225013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.225013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.225013 (E_RNA) where: Base-Base interactions energy: -888.211 where: short stacking energy: -433.871 Base-Backbone interact. energy: -0.410 local terms energy: -464.604604 where: bonds (distance) C4'-P energy: -78.888 bonds (distance) P-C4' energy: -89.164 flat angles C4'-P-C4' energy: -114.455 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -116.192 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: 212 Temperature: 1.000000 Total energy: -1319.248811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.248811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.248811 (E_RNA) where: Base-Base interactions energy: -858.915 where: short stacking energy: -391.982 Base-Backbone interact. energy: -3.680 local terms energy: -456.653623 where: bonds (distance) C4'-P energy: -91.804 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -109.270 flat angles P-C4'-P energy: -57.056 tors. eta vs tors. theta energy: -107.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1202.236268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.236268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.236268 (E_RNA) where: Base-Base interactions energy: -757.618 where: short stacking energy: -353.500 Base-Backbone interact. energy: -1.687 local terms energy: -442.931427 where: bonds (distance) C4'-P energy: -92.210 bonds (distance) P-C4' energy: -96.447 flat angles C4'-P-C4' energy: -103.463 flat angles P-C4'-P energy: -64.599 tors. eta vs tors. theta energy: -86.212 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: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1070.521763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.521763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.521763 (E_RNA) where: Base-Base interactions energy: -679.063 where: short stacking energy: -324.709 Base-Backbone interact. energy: -1.682 local terms energy: -389.776863 where: bonds (distance) C4'-P energy: -82.321 bonds (distance) P-C4' energy: -83.056 flat angles C4'-P-C4' energy: -86.433 flat angles P-C4'-P energy: -60.976 tors. eta vs tors. theta energy: -76.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1009.245394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.245394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.245394 (E_RNA) where: Base-Base interactions energy: -628.331 where: short stacking energy: -271.569 Base-Backbone interact. energy: -1.882 local terms energy: -379.032489 where: bonds (distance) C4'-P energy: -85.147 bonds (distance) P-C4' energy: -99.589 flat angles C4'-P-C4' energy: -86.922 flat angles P-C4'-P energy: -50.451 tors. eta vs tors. theta energy: -56.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -907.814382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.814382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.814382 (E_RNA) where: Base-Base interactions energy: -570.887 where: short stacking energy: -236.287 Base-Backbone interact. energy: -0.898 local terms energy: -336.029565 where: bonds (distance) C4'-P energy: -84.382 bonds (distance) P-C4' energy: -76.456 flat angles C4'-P-C4' energy: -81.222 flat angles P-C4'-P energy: -53.823 tors. eta vs tors. theta energy: -40.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -778.135881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.135881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.135881 (E_RNA) where: Base-Base interactions energy: -467.840 where: short stacking energy: -222.933 Base-Backbone interact. energy: 1.327 local terms energy: -311.622716 where: bonds (distance) C4'-P energy: -61.518 bonds (distance) P-C4' energy: -72.219 flat angles C4'-P-C4' energy: -89.769 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -35.211 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: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -612.240343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.240343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.240343 (E_RNA) where: Base-Base interactions energy: -324.369 where: short stacking energy: -171.959 Base-Backbone interact. energy: 0.130 local terms energy: -288.001397 where: bonds (distance) C4'-P energy: -83.002 bonds (distance) P-C4' energy: -85.646 flat angles C4'-P-C4' energy: -77.577 flat angles P-C4'-P energy: -33.976 tors. eta vs tors. theta energy: -7.801 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: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -370.464802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.464802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.464802 (E_RNA) where: Base-Base interactions energy: -137.333 where: short stacking energy: -121.315 Base-Backbone interact. energy: 12.202 local terms energy: -245.334179 where: bonds (distance) C4'-P energy: -71.109 bonds (distance) P-C4' energy: -80.024 flat angles C4'-P-C4' energy: -52.751 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: 3.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1550.828124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.828124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.828124 (E_RNA) where: Base-Base interactions energy: -1031.735 where: short stacking energy: -465.248 Base-Backbone interact. energy: -0.886 local terms energy: -518.207123 where: bonds (distance) C4'-P energy: -95.169 bonds (distance) P-C4' energy: -105.350 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -75.695 tors. eta vs tors. theta energy: -137.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1377.157708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.157708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.157708 (E_RNA) where: Base-Base interactions energy: -893.960 where: short stacking energy: -421.276 Base-Backbone interact. energy: -1.674 local terms energy: -481.524009 where: bonds (distance) C4'-P energy: -96.457 bonds (distance) P-C4' energy: -85.243 flat angles C4'-P-C4' energy: -106.520 flat angles P-C4'-P energy: -73.008 tors. eta vs tors. theta energy: -120.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1326.928611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.928611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.928611 (E_RNA) where: Base-Base interactions energy: -903.640 where: short stacking energy: -397.300 Base-Backbone interact. energy: 1.563 local terms energy: -424.851658 where: bonds (distance) C4'-P energy: -98.523 bonds (distance) P-C4' energy: -79.038 flat angles C4'-P-C4' energy: -96.442 flat angles P-C4'-P energy: -54.566 tors. eta vs tors. theta energy: -96.283 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: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1187.638336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.638336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.638336 (E_RNA) where: Base-Base interactions energy: -772.086 where: short stacking energy: -351.170 Base-Backbone interact. energy: -0.048 local terms energy: -415.504653 where: bonds (distance) C4'-P energy: -81.190 bonds (distance) P-C4' energy: -83.898 flat angles C4'-P-C4' energy: -102.626 flat angles P-C4'-P energy: -68.384 tors. eta vs tors. theta energy: -79.406 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: 213 Temperature: 1.100000 Total energy: -1157.744149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.744149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.744149 (E_RNA) where: Base-Base interactions energy: -764.147 where: short stacking energy: -348.731 Base-Backbone interact. energy: 5.357 local terms energy: -398.954660 where: bonds (distance) C4'-P energy: -82.002 bonds (distance) P-C4' energy: -84.304 flat angles C4'-P-C4' energy: -83.325 flat angles P-C4'-P energy: -64.571 tors. eta vs tors. theta energy: -84.752 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: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1017.955656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.955656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.955656 (E_RNA) where: Base-Base interactions energy: -633.147 where: short stacking energy: -298.492 Base-Backbone interact. energy: -1.182 local terms energy: -383.626560 where: bonds (distance) C4'-P energy: -81.374 bonds (distance) P-C4' energy: -84.039 flat angles C4'-P-C4' energy: -95.509 flat angles P-C4'-P energy: -54.702 tors. eta vs tors. theta energy: -68.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -913.883217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.883217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.883217 (E_RNA) where: Base-Base interactions energy: -553.543 where: short stacking energy: -295.839 Base-Backbone interact. energy: -1.141 local terms energy: -359.198920 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -92.666 flat angles C4'-P-C4' energy: -74.130 flat angles P-C4'-P energy: -46.010 tors. eta vs tors. theta energy: -68.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -738.988077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.988077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.988077 (E_RNA) where: Base-Base interactions energy: -417.557 where: short stacking energy: -218.493 Base-Backbone interact. energy: 2.194 local terms energy: -323.625115 where: bonds (distance) C4'-P energy: -83.796 bonds (distance) P-C4' energy: -90.464 flat angles C4'-P-C4' energy: -72.392 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -21.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -555.119455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.119455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.119455 (E_RNA) where: Base-Base interactions energy: -267.614 where: short stacking energy: -154.526 Base-Backbone interact. energy: -3.196 local terms energy: -284.310109 where: bonds (distance) C4'-P energy: -70.732 bonds (distance) P-C4' energy: -85.365 flat angles C4'-P-C4' energy: -74.620 flat angles P-C4'-P energy: -53.108 tors. eta vs tors. theta energy: -0.486 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: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -371.411266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.411266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.411266 (E_RNA) where: Base-Base interactions energy: -145.874 where: short stacking energy: -104.691 Base-Backbone interact. energy: 3.997 local terms energy: -229.534467 where: bonds (distance) C4'-P energy: -65.528 bonds (distance) P-C4' energy: -83.423 flat angles C4'-P-C4' energy: -48.213 flat angles P-C4'-P energy: -47.274 tors. eta vs tors. theta energy: 14.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1537.450389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.450389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.450389 (E_RNA) where: Base-Base interactions energy: -1023.818 where: short stacking energy: -467.020 Base-Backbone interact. energy: -3.674 local terms energy: -509.958227 where: bonds (distance) C4'-P energy: -100.614 bonds (distance) P-C4' energy: -93.476 flat angles C4'-P-C4' energy: -109.014 flat angles P-C4'-P energy: -73.830 tors. eta vs tors. theta energy: -133.024 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: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1381.240073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.240073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.240073 (E_RNA) where: Base-Base interactions energy: -886.533 where: short stacking energy: -425.915 Base-Backbone interact. energy: 0.315 local terms energy: -495.022009 where: bonds (distance) C4'-P energy: -103.126 bonds (distance) P-C4' energy: -96.729 flat angles C4'-P-C4' energy: -111.580 flat angles P-C4'-P energy: -60.786 tors. eta vs tors. theta energy: -122.801 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: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1330.408585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.408585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.408585 (E_RNA) where: Base-Base interactions energy: -870.959 where: short stacking energy: -414.538 Base-Backbone interact. energy: -2.888 local terms energy: -456.561538 where: bonds (distance) C4'-P energy: -81.749 bonds (distance) P-C4' energy: -97.163 flat angles C4'-P-C4' energy: -108.201 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: -117.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1205.412200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.412200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.412200 (E_RNA) where: Base-Base interactions energy: -772.602 where: short stacking energy: -360.684 Base-Backbone interact. energy: 0.899 local terms energy: -433.709667 where: bonds (distance) C4'-P energy: -82.804 bonds (distance) P-C4' energy: -99.923 flat angles C4'-P-C4' energy: -95.470 flat angles P-C4'-P energy: -58.578 tors. eta vs tors. theta energy: -96.935 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: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1107.652645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.652645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.652645 (E_RNA) where: Base-Base interactions energy: -693.103 where: short stacking energy: -316.946 Base-Backbone interact. energy: -2.396 local terms energy: -412.153107 where: bonds (distance) C4'-P energy: -84.556 bonds (distance) P-C4' energy: -94.725 flat angles C4'-P-C4' energy: -93.221 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: -78.372 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: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1024.570126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.570126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.570126 (E_RNA) where: Base-Base interactions energy: -644.893 where: short stacking energy: -284.656 Base-Backbone interact. energy: -0.560 local terms energy: -379.117198 where: bonds (distance) C4'-P energy: -91.643 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -82.094 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: -61.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -852.571235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.571235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.571235 (E_RNA) where: Base-Base interactions energy: -504.355 where: short stacking energy: -249.583 Base-Backbone interact. energy: 1.696 local terms energy: -349.911853 where: bonds (distance) C4'-P energy: -85.195 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -90.502 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: -43.399 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: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -751.009330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.009330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.009330 (E_RNA) where: Base-Base interactions energy: -430.317 where: short stacking energy: -226.383 Base-Backbone interact. energy: 2.465 local terms energy: -323.157034 where: bonds (distance) C4'-P energy: -68.432 bonds (distance) P-C4' energy: -88.871 flat angles C4'-P-C4' energy: -80.990 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -32.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -529.995422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.995422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.995422 (E_RNA) where: Base-Base interactions energy: -243.130 where: short stacking energy: -125.457 Base-Backbone interact. energy: -0.621 local terms energy: -286.244372 where: bonds (distance) C4'-P energy: -80.313 bonds (distance) P-C4' energy: -82.766 flat angles C4'-P-C4' energy: -67.630 flat angles P-C4'-P energy: -57.380 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: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -430.960917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.960917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.960917 (E_RNA) where: Base-Base interactions energy: -174.102 where: short stacking energy: -118.529 Base-Backbone interact. energy: 1.039 local terms energy: -257.898343 where: bonds (distance) C4'-P energy: -78.667 bonds (distance) P-C4' energy: -84.093 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -34.406 tors. eta vs tors. theta energy: 15.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1541.101512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.101512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.101512 (E_RNA) where: Base-Base interactions energy: -1035.229 where: short stacking energy: -457.067 Base-Backbone interact. energy: -2.587 local terms energy: -503.285574 where: bonds (distance) C4'-P energy: -101.690 bonds (distance) P-C4' energy: -91.127 flat angles C4'-P-C4' energy: -100.632 flat angles P-C4'-P energy: -76.170 tors. eta vs tors. theta energy: -133.666 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: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1356.191618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.191618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.191618 (E_RNA) where: Base-Base interactions energy: -902.121 where: short stacking energy: -430.765 Base-Backbone interact. energy: -2.551 local terms energy: -451.519198 where: bonds (distance) C4'-P energy: -90.029 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -107.668 flat angles P-C4'-P energy: -58.904 tors. eta vs tors. theta energy: -114.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1329.658177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.658177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.658177 (E_RNA) where: Base-Base interactions energy: -853.470 where: short stacking energy: -399.998 Base-Backbone interact. energy: -0.950 local terms energy: -475.237453 where: bonds (distance) C4'-P energy: -101.342 bonds (distance) P-C4' energy: -93.110 flat angles C4'-P-C4' energy: -99.592 flat angles P-C4'-P energy: -70.529 tors. eta vs tors. theta energy: -110.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1178.533061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.533061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.533061 (E_RNA) where: Base-Base interactions energy: -742.376 where: short stacking energy: -349.924 Base-Backbone interact. energy: 0.833 local terms energy: -436.990545 where: bonds (distance) C4'-P energy: -94.364 bonds (distance) P-C4' energy: -94.975 flat angles C4'-P-C4' energy: -97.376 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -94.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1145.157710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.157710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.157710 (E_RNA) where: Base-Base interactions energy: -738.507 where: short stacking energy: -328.808 Base-Backbone interact. energy: -1.162 local terms energy: -405.488736 where: bonds (distance) C4'-P energy: -78.157 bonds (distance) P-C4' energy: -87.820 flat angles C4'-P-C4' energy: -99.961 flat angles P-C4'-P energy: -52.505 tors. eta vs tors. theta energy: -87.047 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: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1036.840737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.840737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.840737 (E_RNA) where: Base-Base interactions energy: -658.946 where: short stacking energy: -302.601 Base-Backbone interact. energy: -2.089 local terms energy: -375.805501 where: bonds (distance) C4'-P energy: -86.637 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -90.617 flat angles P-C4'-P energy: -43.541 tors. eta vs tors. theta energy: -71.717 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: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -910.947386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.947386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.947386 (E_RNA) where: Base-Base interactions energy: -570.089 where: short stacking energy: -273.758 Base-Backbone interact. energy: -3.247 local terms energy: -337.611919 where: bonds (distance) C4'-P energy: -62.994 bonds (distance) P-C4' energy: -81.669 flat angles C4'-P-C4' energy: -90.931 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -43.236 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: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -766.372331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.372331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.372331 (E_RNA) where: Base-Base interactions energy: -457.736 where: short stacking energy: -221.942 Base-Backbone interact. energy: -0.728 local terms energy: -307.908515 where: bonds (distance) C4'-P energy: -73.742 bonds (distance) P-C4' energy: -77.420 flat angles C4'-P-C4' energy: -80.095 flat angles P-C4'-P energy: -39.878 tors. eta vs tors. theta energy: -36.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -554.677125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.677125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.677125 (E_RNA) where: Base-Base interactions energy: -259.333 where: short stacking energy: -146.770 Base-Backbone interact. energy: 2.307 local terms energy: -297.650970 where: bonds (distance) C4'-P energy: -89.238 bonds (distance) P-C4' energy: -87.561 flat angles C4'-P-C4' energy: -78.225 flat angles P-C4'-P energy: -50.805 tors. eta vs tors. theta energy: 8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -379.037285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.037285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.037285 (E_RNA) where: Base-Base interactions energy: -143.866 where: short stacking energy: -113.622 Base-Backbone interact. energy: -1.473 local terms energy: -233.698295 where: bonds (distance) C4'-P energy: -65.289 bonds (distance) P-C4' energy: -71.026 flat angles C4'-P-C4' energy: -79.617 flat angles P-C4'-P energy: -42.380 tors. eta vs tors. theta energy: 24.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1548.919785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.919785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.919785 (E_RNA) where: Base-Base interactions energy: -1036.672 where: short stacking energy: -471.097 Base-Backbone interact. energy: -2.218 local terms energy: -510.029822 where: bonds (distance) C4'-P energy: -98.842 bonds (distance) P-C4' energy: -112.068 flat angles C4'-P-C4' energy: -109.633 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -133.081 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: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1353.286210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.286210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.286210 (E_RNA) where: Base-Base interactions energy: -882.908 where: short stacking energy: -417.420 Base-Backbone interact. energy: 0.082 local terms energy: -470.460438 where: bonds (distance) C4'-P energy: -94.790 bonds (distance) P-C4' energy: -96.613 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -110.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1308.307974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.307974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.307974 (E_RNA) where: Base-Base interactions energy: -858.258 where: short stacking energy: -393.229 Base-Backbone interact. energy: -0.694 local terms energy: -449.356410 where: bonds (distance) C4'-P energy: -73.446 bonds (distance) P-C4' energy: -94.059 flat angles C4'-P-C4' energy: -92.502 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -120.281 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: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1162.788412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.788412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.788412 (E_RNA) where: Base-Base interactions energy: -745.000 where: short stacking energy: -326.706 Base-Backbone interact. energy: -2.110 local terms energy: -415.678870 where: bonds (distance) C4'-P energy: -90.911 bonds (distance) P-C4' energy: -92.548 flat angles C4'-P-C4' energy: -84.875 flat angles P-C4'-P energy: -69.104 tors. eta vs tors. theta energy: -78.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1120.789130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.789130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.789130 (E_RNA) where: Base-Base interactions energy: -736.162 where: short stacking energy: -330.655 Base-Backbone interact. energy: 0.208 local terms energy: -384.834834 where: bonds (distance) C4'-P energy: -87.554 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -86.489 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -79.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1057.379191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.379191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.379191 (E_RNA) where: Base-Base interactions energy: -682.957 where: short stacking energy: -308.288 Base-Backbone interact. energy: -0.814 local terms energy: -373.608926 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -87.903 flat angles C4'-P-C4' energy: -89.931 flat angles P-C4'-P energy: -49.213 tors. eta vs tors. theta energy: -66.936 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: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -880.642960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.642960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.642960 (E_RNA) where: Base-Base interactions energy: -532.878 where: short stacking energy: -266.521 Base-Backbone interact. energy: 1.916 local terms energy: -349.680856 where: bonds (distance) C4'-P energy: -81.529 bonds (distance) P-C4' energy: -93.067 flat angles C4'-P-C4' energy: -82.581 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -50.691 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: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -812.974711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.974711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.974711 (E_RNA) where: Base-Base interactions energy: -494.873 where: short stacking energy: -262.461 Base-Backbone interact. energy: -0.067 local terms energy: -318.033860 where: bonds (distance) C4'-P energy: -73.583 bonds (distance) P-C4' energy: -72.796 flat angles C4'-P-C4' energy: -68.459 flat angles P-C4'-P energy: -58.934 tors. eta vs tors. theta energy: -44.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -619.263452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.263452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.263452 (E_RNA) where: Base-Base interactions energy: -306.980 where: short stacking energy: -176.903 Base-Backbone interact. energy: -0.812 local terms energy: -311.471919 where: bonds (distance) C4'-P energy: -79.926 bonds (distance) P-C4' energy: -87.616 flat angles C4'-P-C4' energy: -72.726 flat angles P-C4'-P energy: -62.000 tors. eta vs tors. theta energy: -9.204 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: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -380.866946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.866946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.866946 (E_RNA) where: Base-Base interactions energy: -134.004 where: short stacking energy: -103.537 Base-Backbone interact. energy: -1.242 local terms energy: -245.621349 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -89.928 flat angles C4'-P-C4' energy: -57.515 flat angles P-C4'-P energy: -30.516 tors. eta vs tors. theta energy: 19.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1575.932807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.932807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.932807 (E_RNA) where: Base-Base interactions energy: -1063.279 where: short stacking energy: -486.710 Base-Backbone interact. energy: -0.330 local terms energy: -512.324223 where: bonds (distance) C4'-P energy: -97.493 bonds (distance) P-C4' energy: -87.774 flat angles C4'-P-C4' energy: -115.336 flat angles P-C4'-P energy: -68.279 tors. eta vs tors. theta energy: -143.442 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: 217 Temperature: 0.950000 Total energy: -1368.913432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.913432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.913432 (E_RNA) where: Base-Base interactions energy: -881.747 where: short stacking energy: -421.259 Base-Backbone interact. energy: -1.254 local terms energy: -485.912667 where: bonds (distance) C4'-P energy: -98.673 bonds (distance) P-C4' energy: -107.306 flat angles C4'-P-C4' energy: -100.911 flat angles P-C4'-P energy: -65.079 tors. eta vs tors. theta energy: -113.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1313.007112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.007112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.007112 (E_RNA) where: Base-Base interactions energy: -860.671 where: short stacking energy: -390.831 Base-Backbone interact. energy: -0.597 local terms energy: -451.738798 where: bonds (distance) C4'-P energy: -82.543 bonds (distance) P-C4' energy: -87.877 flat angles C4'-P-C4' energy: -101.731 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: -112.968 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: 217 Temperature: 1.050000 Total energy: -1175.722555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.722555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.722555 (E_RNA) where: Base-Base interactions energy: -723.803 where: short stacking energy: -341.847 Base-Backbone interact. energy: -0.176 local terms energy: -451.743545 where: bonds (distance) C4'-P energy: -90.754 bonds (distance) P-C4' energy: -89.301 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: -102.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1189.937304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.937304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.937304 (E_RNA) where: Base-Base interactions energy: -793.143 where: short stacking energy: -346.006 Base-Backbone interact. energy: 2.697 local terms energy: -399.492088 where: bonds (distance) C4'-P energy: -90.772 bonds (distance) P-C4' energy: -81.279 flat angles C4'-P-C4' energy: -102.635 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -80.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1056.148796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.148796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.148796 (E_RNA) where: Base-Base interactions energy: -647.211 where: short stacking energy: -314.642 Base-Backbone interact. energy: -2.554 local terms energy: -406.383934 where: bonds (distance) C4'-P energy: -79.777 bonds (distance) P-C4' energy: -89.294 flat angles C4'-P-C4' energy: -99.993 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -84.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -871.373802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.373802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.373802 (E_RNA) where: Base-Base interactions energy: -550.951 where: short stacking energy: -237.913 Base-Backbone interact. energy: 0.583 local terms energy: -321.005661 where: bonds (distance) C4'-P energy: -82.223 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -70.657 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -28.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -750.430605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.430605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.430605 (E_RNA) where: Base-Base interactions energy: -432.982 where: short stacking energy: -206.053 Base-Backbone interact. energy: -1.250 local terms energy: -316.198675 where: bonds (distance) C4'-P energy: -74.486 bonds (distance) P-C4' energy: -91.078 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -47.791 tors. eta vs tors. theta energy: -27.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -598.514142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.514142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.514142 (E_RNA) where: Base-Base interactions energy: -325.786 where: short stacking energy: -166.746 Base-Backbone interact. energy: -4.158 local terms energy: -268.569861 where: bonds (distance) C4'-P energy: -57.715 bonds (distance) P-C4' energy: -79.773 flat angles C4'-P-C4' energy: -72.485 flat angles P-C4'-P energy: -49.038 tors. eta vs tors. theta energy: -9.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -361.822177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.822177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.822177 (E_RNA) where: Base-Base interactions energy: -125.295 where: short stacking energy: -102.821 Base-Backbone interact. energy: 3.342 local terms energy: -239.869102 where: bonds (distance) C4'-P energy: -76.039 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -48.181 flat angles P-C4'-P energy: -54.019 tors. eta vs tors. theta energy: 16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1573.215188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.215188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.215188 (E_RNA) where: Base-Base interactions energy: -1068.130 where: short stacking energy: -478.898 Base-Backbone interact. energy: 1.814 local terms energy: -506.898897 where: bonds (distance) C4'-P energy: -89.260 bonds (distance) P-C4' energy: -95.302 flat angles C4'-P-C4' energy: -100.250 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -143.420 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: 218 Temperature: 0.950000 Total energy: -1389.562715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.562715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.562715 (E_RNA) where: Base-Base interactions energy: -896.733 where: short stacking energy: -429.541 Base-Backbone interact. energy: -1.266 local terms energy: -491.564171 where: bonds (distance) C4'-P energy: -99.279 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -102.107 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -127.051 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: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1311.143266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.143266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.143266 (E_RNA) where: Base-Base interactions energy: -850.958 where: short stacking energy: -420.176 Base-Backbone interact. energy: -0.217 local terms energy: -459.968078 where: bonds (distance) C4'-P energy: -97.829 bonds (distance) P-C4' energy: -80.955 flat angles C4'-P-C4' energy: -105.475 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: -112.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1152.150276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.150276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.150276 (E_RNA) where: Base-Base interactions energy: -748.594 where: short stacking energy: -359.882 Base-Backbone interact. energy: -0.341 local terms energy: -403.214928 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -83.438 flat angles C4'-P-C4' energy: -92.406 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: -92.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1159.578637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.578637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.578637 (E_RNA) where: Base-Base interactions energy: -746.573 where: short stacking energy: -321.282 Base-Backbone interact. energy: -2.304 local terms energy: -410.701610 where: bonds (distance) C4'-P energy: -87.874 bonds (distance) P-C4' energy: -77.947 flat angles C4'-P-C4' energy: -96.051 flat angles P-C4'-P energy: -69.994 tors. eta vs tors. theta energy: -78.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1089.262965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.262965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.262965 (E_RNA) where: Base-Base interactions energy: -690.752 where: short stacking energy: -317.866 Base-Backbone interact. energy: -0.965 local terms energy: -397.546355 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -85.514 flat angles P-C4'-P energy: -61.652 tors. eta vs tors. theta energy: -82.134 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: 218 Temperature: 1.200000 Total energy: -877.284846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.284846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.284846 (E_RNA) where: Base-Base interactions energy: -518.659 where: short stacking energy: -233.440 Base-Backbone interact. energy: 0.210 local terms energy: -358.836022 where: bonds (distance) C4'-P energy: -76.228 bonds (distance) P-C4' energy: -88.418 flat angles C4'-P-C4' energy: -84.801 flat angles P-C4'-P energy: -62.017 tors. eta vs tors. theta energy: -47.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -711.264783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.264783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.264783 (E_RNA) where: Base-Base interactions energy: -393.825 where: short stacking energy: -195.769 Base-Backbone interact. energy: -0.658 local terms energy: -316.782219 where: bonds (distance) C4'-P energy: -78.484 bonds (distance) P-C4' energy: -88.152 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -44.381 tors. eta vs tors. theta energy: -21.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -590.985763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.985763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.985763 (E_RNA) where: Base-Base interactions energy: -329.471 where: short stacking energy: -197.597 Base-Backbone interact. energy: 0.399 local terms energy: -261.913240 where: bonds (distance) C4'-P energy: -45.256 bonds (distance) P-C4' energy: -78.477 flat angles C4'-P-C4' energy: -80.023 flat angles P-C4'-P energy: -41.035 tors. eta vs tors. theta energy: -17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -419.745998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.745998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.745998 (E_RNA) where: Base-Base interactions energy: -158.088 where: short stacking energy: -113.769 Base-Backbone interact. energy: 0.166 local terms energy: -261.823862 where: bonds (distance) C4'-P energy: -87.163 bonds (distance) P-C4' energy: -78.964 flat angles C4'-P-C4' energy: -71.216 flat angles P-C4'-P energy: -39.244 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: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1545.619272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.619272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.619272 (E_RNA) where: Base-Base interactions energy: -1026.696 where: short stacking energy: -453.296 Base-Backbone interact. energy: -3.125 local terms energy: -515.797871 where: bonds (distance) C4'-P energy: -110.721 bonds (distance) P-C4' energy: -101.247 flat angles C4'-P-C4' energy: -104.979 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -138.640 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: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1404.037438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.037438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.037438 (E_RNA) where: Base-Base interactions energy: -929.078 where: short stacking energy: -428.974 Base-Backbone interact. energy: -2.303 local terms energy: -472.656308 where: bonds (distance) C4'-P energy: -86.659 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -101.343 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -126.621 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: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1280.282589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.282589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.282589 (E_RNA) where: Base-Base interactions energy: -820.676 where: short stacking energy: -378.648 Base-Backbone interact. energy: 2.584 local terms energy: -462.191287 where: bonds (distance) C4'-P energy: -82.802 bonds (distance) P-C4' energy: -100.912 flat angles C4'-P-C4' energy: -105.654 flat angles P-C4'-P energy: -67.286 tors. eta vs tors. theta energy: -105.536 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: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1238.913687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.913687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.913687 (E_RNA) where: Base-Base interactions energy: -816.705 where: short stacking energy: -383.506 Base-Backbone interact. energy: -1.615 local terms energy: -420.594250 where: bonds (distance) C4'-P energy: -83.190 bonds (distance) P-C4' energy: -83.967 flat angles C4'-P-C4' energy: -99.106 flat angles P-C4'-P energy: -58.019 tors. eta vs tors. theta energy: -96.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1126.613393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.613393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.613393 (E_RNA) where: Base-Base interactions energy: -701.346 where: short stacking energy: -341.379 Base-Backbone interact. energy: -0.171 local terms energy: -425.096298 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -83.723 flat angles C4'-P-C4' energy: -99.774 flat angles P-C4'-P energy: -63.408 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: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1092.078298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.078298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.078298 (E_RNA) where: Base-Base interactions energy: -695.946 where: short stacking energy: -324.077 Base-Backbone interact. energy: -3.660 local terms energy: -392.472504 where: bonds (distance) C4'-P energy: -70.135 bonds (distance) P-C4' energy: -83.950 flat angles C4'-P-C4' energy: -101.739 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -74.357 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: 219 Temperature: 1.200000 Total energy: -865.237741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.237741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.237741 (E_RNA) where: Base-Base interactions energy: -508.886 where: short stacking energy: -229.585 Base-Backbone interact. energy: -1.092 local terms energy: -355.259475 where: bonds (distance) C4'-P energy: -93.119 bonds (distance) P-C4' energy: -96.343 flat angles C4'-P-C4' energy: -85.031 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -22.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -761.190708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.190708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.190708 (E_RNA) where: Base-Base interactions energy: -432.256 where: short stacking energy: -226.210 Base-Backbone interact. energy: 4.963 local terms energy: -333.897235 where: bonds (distance) C4'-P energy: -78.570 bonds (distance) P-C4' energy: -81.782 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -56.928 tors. eta vs tors. theta energy: -32.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -610.915310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.915310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.915310 (E_RNA) where: Base-Base interactions energy: -366.056 where: short stacking energy: -190.666 Base-Backbone interact. energy: 0.606 local terms energy: -245.465336 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -77.227 flat angles C4'-P-C4' energy: -53.259 flat angles P-C4'-P energy: -20.539 tors. eta vs tors. theta energy: -18.516 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: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -373.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.335961 (E_RNA) where: Base-Base interactions energy: -127.552 where: short stacking energy: -113.317 Base-Backbone interact. energy: 2.830 local terms energy: -248.614430 where: bonds (distance) C4'-P energy: -71.387 bonds (distance) P-C4' energy: -91.103 flat angles C4'-P-C4' energy: -60.337 flat angles P-C4'-P energy: -34.933 tors. eta vs tors. theta energy: 9.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1557.340902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.340902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.340902 (E_RNA) where: Base-Base interactions energy: -1028.533 where: short stacking energy: -452.063 Base-Backbone interact. energy: -1.490 local terms energy: -527.317785 where: bonds (distance) C4'-P energy: -97.571 bonds (distance) P-C4' energy: -103.199 flat angles C4'-P-C4' energy: -114.531 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -134.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1444.253309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.253309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.253309 (E_RNA) where: Base-Base interactions energy: -953.845 where: short stacking energy: -417.566 Base-Backbone interact. energy: -2.050 local terms energy: -488.358685 where: bonds (distance) C4'-P energy: -93.104 bonds (distance) P-C4' energy: -96.126 flat angles C4'-P-C4' energy: -113.467 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -121.849 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: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1254.185825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.185825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.185825 (E_RNA) where: Base-Base interactions energy: -812.265 where: short stacking energy: -385.333 Base-Backbone interact. energy: -2.560 local terms energy: -439.361248 where: bonds (distance) C4'-P energy: -92.320 bonds (distance) P-C4' energy: -86.795 flat angles C4'-P-C4' energy: -102.767 flat angles P-C4'-P energy: -70.916 tors. eta vs tors. theta energy: -86.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1238.647845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.647845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.647845 (E_RNA) where: Base-Base interactions energy: -808.895 where: short stacking energy: -374.099 Base-Backbone interact. energy: -1.043 local terms energy: -428.709310 where: bonds (distance) C4'-P energy: -67.353 bonds (distance) P-C4' energy: -96.184 flat angles C4'-P-C4' energy: -92.416 flat angles P-C4'-P energy: -75.321 tors. eta vs tors. theta energy: -97.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1144.568387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.568387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.568387 (E_RNA) where: Base-Base interactions energy: -712.309 where: short stacking energy: -336.523 Base-Backbone interact. energy: -2.926 local terms energy: -429.332729 where: bonds (distance) C4'-P energy: -82.830 bonds (distance) P-C4' energy: -90.916 flat angles C4'-P-C4' energy: -102.289 flat angles P-C4'-P energy: -51.372 tors. eta vs tors. theta energy: -101.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1103.618193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.618193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.618193 (E_RNA) where: Base-Base interactions energy: -691.987 where: short stacking energy: -317.006 Base-Backbone interact. energy: -2.209 local terms energy: -409.422011 where: bonds (distance) C4'-P energy: -80.759 bonds (distance) P-C4' energy: -72.614 flat angles C4'-P-C4' energy: -98.094 flat angles P-C4'-P energy: -72.130 tors. eta vs tors. theta energy: -85.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -815.756173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.756173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.756173 (E_RNA) where: Base-Base interactions energy: -486.253 where: short stacking energy: -221.646 Base-Backbone interact. energy: -1.095 local terms energy: -328.408029 where: bonds (distance) C4'-P energy: -90.338 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -79.075 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -18.391 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: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -862.792133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.792133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.792133 (E_RNA) where: Base-Base interactions energy: -507.612 where: short stacking energy: -226.949 Base-Backbone interact. energy: -2.516 local terms energy: -352.664890 where: bonds (distance) C4'-P energy: -87.277 bonds (distance) P-C4' energy: -91.086 flat angles C4'-P-C4' energy: -73.931 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -49.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -558.258927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.258927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.258927 (E_RNA) where: Base-Base interactions energy: -304.313 where: short stacking energy: -154.599 Base-Backbone interact. energy: -2.319 local terms energy: -251.626850 where: bonds (distance) C4'-P energy: -67.176 bonds (distance) P-C4' energy: -76.631 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -38.824 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: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -365.370523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.370523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.370523 (E_RNA) where: Base-Base interactions energy: -160.255 where: short stacking energy: -140.275 Base-Backbone interact. energy: 1.287 local terms energy: -206.401711 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -80.353 flat angles C4'-P-C4' energy: -49.328 flat angles P-C4'-P energy: -27.485 tors. eta vs tors. theta energy: 15.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1538.800896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.800896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.800896 (E_RNA) where: Base-Base interactions energy: -1048.836 where: short stacking energy: -485.094 Base-Backbone interact. energy: 1.508 local terms energy: -491.473090 where: bonds (distance) C4'-P energy: -97.645 bonds (distance) P-C4' energy: -92.403 flat angles C4'-P-C4' energy: -104.748 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -129.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1464.287655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.287655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.287655 (E_RNA) where: Base-Base interactions energy: -969.339 where: short stacking energy: -458.245 Base-Backbone interact. energy: -2.173 local terms energy: -492.775899 where: bonds (distance) C4'-P energy: -92.079 bonds (distance) P-C4' energy: -97.508 flat angles C4'-P-C4' energy: -110.017 flat angles P-C4'-P energy: -60.526 tors. eta vs tors. theta energy: -132.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1301.852423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.852423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.852423 (E_RNA) where: Base-Base interactions energy: -861.618 where: short stacking energy: -389.282 Base-Backbone interact. energy: -0.297 local terms energy: -439.937266 where: bonds (distance) C4'-P energy: -82.592 bonds (distance) P-C4' energy: -79.140 flat angles C4'-P-C4' energy: -106.919 flat angles P-C4'-P energy: -72.626 tors. eta vs tors. theta energy: -98.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1269.033612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.033612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.033612 (E_RNA) where: Base-Base interactions energy: -826.942 where: short stacking energy: -373.401 Base-Backbone interact. energy: 4.648 local terms energy: -446.740297 where: bonds (distance) C4'-P energy: -91.370 bonds (distance) P-C4' energy: -96.752 flat angles C4'-P-C4' energy: -86.917 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: -101.585 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: 221 Temperature: 1.100000 Total energy: -1120.781484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.781484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.781484 (E_RNA) where: Base-Base interactions energy: -711.441 where: short stacking energy: -339.193 Base-Backbone interact. energy: -2.049 local terms energy: -407.290936 where: bonds (distance) C4'-P energy: -91.859 bonds (distance) P-C4' energy: -73.966 flat angles C4'-P-C4' energy: -93.496 flat angles P-C4'-P energy: -57.644 tors. eta vs tors. theta energy: -90.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1138.199830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.199830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.199830 (E_RNA) where: Base-Base interactions energy: -761.511 where: short stacking energy: -349.265 Base-Backbone interact. energy: -0.803 local terms energy: -375.885126 where: bonds (distance) C4'-P energy: -81.421 bonds (distance) P-C4' energy: -75.017 flat angles C4'-P-C4' energy: -88.945 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -80.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -788.323116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.323116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.323116 (E_RNA) where: Base-Base interactions energy: -454.365 where: short stacking energy: -247.261 Base-Backbone interact. energy: -2.670 local terms energy: -331.288032 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -42.264 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: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -821.903927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.903927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.903927 (E_RNA) where: Base-Base interactions energy: -505.640 where: short stacking energy: -244.513 Base-Backbone interact. energy: -2.475 local terms energy: -313.789616 where: bonds (distance) C4'-P energy: -73.210 bonds (distance) P-C4' energy: -84.002 flat angles C4'-P-C4' energy: -78.733 flat angles P-C4'-P energy: -41.584 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: 9, replica: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -594.644343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.644343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.644343 (E_RNA) where: Base-Base interactions energy: -311.433 where: short stacking energy: -163.010 Base-Backbone interact. energy: 3.099 local terms energy: -286.310156 where: bonds (distance) C4'-P energy: -81.274 bonds (distance) P-C4' energy: -95.596 flat angles C4'-P-C4' energy: -75.837 flat angles P-C4'-P energy: -27.421 tors. eta vs tors. theta energy: -6.183 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: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -388.830206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.830206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.830206 (E_RNA) where: Base-Base interactions energy: -151.391 where: short stacking energy: -114.369 Base-Backbone interact. energy: -1.668 local terms energy: -235.770523 where: bonds (distance) C4'-P energy: -70.414 bonds (distance) P-C4' energy: -74.157 flat angles C4'-P-C4' energy: -74.154 flat angles P-C4'-P energy: -37.108 tors. eta vs tors. theta energy: 20.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1526.404464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.404464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.404464 (E_RNA) where: Base-Base interactions energy: -1029.167 where: short stacking energy: -451.810 Base-Backbone interact. energy: 0.575 local terms energy: -497.811929 where: bonds (distance) C4'-P energy: -88.764 bonds (distance) P-C4' energy: -108.070 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -65.067 tors. eta vs tors. theta energy: -130.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1458.547311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.547311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.547311 (E_RNA) where: Base-Base interactions energy: -964.730 where: short stacking energy: -425.011 Base-Backbone interact. energy: -3.422 local terms energy: -490.394746 where: bonds (distance) C4'-P energy: -102.435 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -96.750 flat angles P-C4'-P energy: -70.659 tors. eta vs tors. theta energy: -124.068 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: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1318.569070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.569070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.569070 (E_RNA) where: Base-Base interactions energy: -875.691 where: short stacking energy: -419.903 Base-Backbone interact. energy: 2.081 local terms energy: -444.959167 where: bonds (distance) C4'-P energy: -87.932 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -94.438 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -100.519 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: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1230.937816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.937816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.937816 (E_RNA) where: Base-Base interactions energy: -779.875 where: short stacking energy: -356.370 Base-Backbone interact. energy: -0.639 local terms energy: -450.423374 where: bonds (distance) C4'-P energy: -98.741 bonds (distance) P-C4' energy: -89.015 flat angles C4'-P-C4' energy: -105.320 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -92.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1100.714752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.714752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.714752 (E_RNA) where: Base-Base interactions energy: -675.205 where: short stacking energy: -313.267 Base-Backbone interact. energy: -0.771 local terms energy: -424.738150 where: bonds (distance) C4'-P energy: -94.129 bonds (distance) P-C4' energy: -97.837 flat angles C4'-P-C4' energy: -96.026 flat angles P-C4'-P energy: -60.296 tors. eta vs tors. theta energy: -76.451 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: 222 Temperature: 1.150000 Total energy: -1075.047431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.047431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.047431 (E_RNA) where: Base-Base interactions energy: -696.917 where: short stacking energy: -308.078 Base-Backbone interact. energy: 3.414 local terms energy: -381.544390 where: bonds (distance) C4'-P energy: -81.411 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -80.250 flat angles P-C4'-P energy: -52.810 tors. eta vs tors. theta energy: -70.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -797.452743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.452743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.452743 (E_RNA) where: Base-Base interactions energy: -445.977 where: short stacking energy: -237.471 Base-Backbone interact. energy: -3.502 local terms energy: -347.974000 where: bonds (distance) C4'-P energy: -84.328 bonds (distance) P-C4' energy: -86.613 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -38.973 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: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -715.789853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.789853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.789853 (E_RNA) where: Base-Base interactions energy: -391.697 where: short stacking energy: -197.815 Base-Backbone interact. energy: 0.766 local terms energy: -324.858725 where: bonds (distance) C4'-P energy: -65.632 bonds (distance) P-C4' energy: -82.572 flat angles C4'-P-C4' energy: -96.457 flat angles P-C4'-P energy: -51.119 tors. eta vs tors. theta energy: -29.079 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: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -508.009109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.009109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.009109 (E_RNA) where: Base-Base interactions energy: -235.408 where: short stacking energy: -139.502 Base-Backbone interact. energy: 1.092 local terms energy: -273.693262 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -75.467 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -60.360 tors. eta vs tors. theta energy: 7.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -387.585980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.585980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.585980 (E_RNA) where: Base-Base interactions energy: -141.926 where: short stacking energy: -104.085 Base-Backbone interact. energy: -0.663 local terms energy: -244.996569 where: bonds (distance) C4'-P energy: -74.170 bonds (distance) P-C4' energy: -49.984 flat angles C4'-P-C4' energy: -77.435 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: 2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1532.895674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.895674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.895674 (E_RNA) where: Base-Base interactions energy: -1029.184 where: short stacking energy: -472.628 Base-Backbone interact. energy: -2.128 local terms energy: -501.583233 where: bonds (distance) C4'-P energy: -96.727 bonds (distance) P-C4' energy: -92.076 flat angles C4'-P-C4' energy: -106.203 flat angles P-C4'-P energy: -68.725 tors. eta vs tors. theta energy: -137.852 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: 223 Temperature: 0.950000 Total energy: -1424.680596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.680596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.680596 (E_RNA) where: Base-Base interactions energy: -929.650 where: short stacking energy: -443.356 Base-Backbone interact. energy: -2.139 local terms energy: -492.891880 where: bonds (distance) C4'-P energy: -97.382 bonds (distance) P-C4' energy: -96.657 flat angles C4'-P-C4' energy: -101.936 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: -133.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1311.831140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.831140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.831140 (E_RNA) where: Base-Base interactions energy: -867.314 where: short stacking energy: -405.870 Base-Backbone interact. energy: -1.640 local terms energy: -442.876786 where: bonds (distance) C4'-P energy: -72.023 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -93.792 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -117.968 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: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1248.255356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.255356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.255356 (E_RNA) where: Base-Base interactions energy: -796.542 where: short stacking energy: -380.067 Base-Backbone interact. energy: 1.492 local terms energy: -453.204520 where: bonds (distance) C4'-P energy: -78.404 bonds (distance) P-C4' energy: -95.573 flat angles C4'-P-C4' energy: -100.760 flat angles P-C4'-P energy: -78.030 tors. eta vs tors. theta energy: -100.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1102.894255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.894255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.894255 (E_RNA) where: Base-Base interactions energy: -701.599 where: short stacking energy: -324.727 Base-Backbone interact. energy: -0.682 local terms energy: -400.613950 where: bonds (distance) C4'-P energy: -77.099 bonds (distance) P-C4' energy: -87.811 flat angles C4'-P-C4' energy: -95.212 flat angles P-C4'-P energy: -55.423 tors. eta vs tors. theta energy: -85.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1103.726572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.726572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.726572 (E_RNA) where: Base-Base interactions energy: -702.170 where: short stacking energy: -348.605 Base-Backbone interact. energy: -1.925 local terms energy: -399.631225 where: bonds (distance) C4'-P energy: -83.023 bonds (distance) P-C4' energy: -80.597 flat angles C4'-P-C4' energy: -90.892 flat angles P-C4'-P energy: -65.503 tors. eta vs tors. theta energy: -79.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -783.776787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.776787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.776787 (E_RNA) where: Base-Base interactions energy: -443.155 where: short stacking energy: -221.705 Base-Backbone interact. energy: -0.542 local terms energy: -340.079438 where: bonds (distance) C4'-P energy: -72.773 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -75.269 flat angles P-C4'-P energy: -59.172 tors. eta vs tors. theta energy: -43.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -686.185581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.185581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.185581 (E_RNA) where: Base-Base interactions energy: -371.453 where: short stacking energy: -195.531 Base-Backbone interact. energy: 0.927 local terms energy: -315.659561 where: bonds (distance) C4'-P energy: -79.184 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -77.185 flat angles P-C4'-P energy: -36.355 tors. eta vs tors. theta energy: -32.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -534.713361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.713361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.713361 (E_RNA) where: Base-Base interactions energy: -249.595 where: short stacking energy: -137.194 Base-Backbone interact. energy: -0.318 local terms energy: -284.800288 where: bonds (distance) C4'-P energy: -79.412 bonds (distance) P-C4' energy: -83.886 flat angles C4'-P-C4' energy: -77.242 flat angles P-C4'-P energy: -46.803 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: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -380.720624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.720624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.720624 (E_RNA) where: Base-Base interactions energy: -116.065 where: short stacking energy: -93.045 Base-Backbone interact. energy: 2.767 local terms energy: -267.423406 where: bonds (distance) C4'-P energy: -71.538 bonds (distance) P-C4' energy: -85.205 flat angles C4'-P-C4' energy: -71.851 flat angles P-C4'-P energy: -56.269 tors. eta vs tors. theta energy: 17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1565.882926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.882926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.882926 (E_RNA) where: Base-Base interactions energy: -1054.252 where: short stacking energy: -492.829 Base-Backbone interact. energy: 0.289 local terms energy: -511.920368 where: bonds (distance) C4'-P energy: -90.623 bonds (distance) P-C4' energy: -101.612 flat angles C4'-P-C4' energy: -105.440 flat angles P-C4'-P energy: -78.558 tors. eta vs tors. theta energy: -135.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1440.274250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.274250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.274250 (E_RNA) where: Base-Base interactions energy: -983.660 where: short stacking energy: -465.501 Base-Backbone interact. energy: -1.553 local terms energy: -455.061364 where: bonds (distance) C4'-P energy: -91.700 bonds (distance) P-C4' energy: -74.794 flat angles C4'-P-C4' energy: -98.589 flat angles P-C4'-P energy: -56.292 tors. eta vs tors. theta energy: -133.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1303.470264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.470264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.470264 (E_RNA) where: Base-Base interactions energy: -854.083 where: short stacking energy: -361.417 Base-Backbone interact. energy: 0.046 local terms energy: -449.433375 where: bonds (distance) C4'-P energy: -90.523 bonds (distance) P-C4' energy: -92.295 flat angles C4'-P-C4' energy: -95.977 flat angles P-C4'-P energy: -66.797 tors. eta vs tors. theta energy: -103.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1239.986798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.986798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.986798 (E_RNA) where: Base-Base interactions energy: -791.908 where: short stacking energy: -358.738 Base-Backbone interact. energy: -0.434 local terms energy: -447.644711 where: bonds (distance) C4'-P energy: -91.407 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -65.392 tors. eta vs tors. theta energy: -105.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1071.300663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.300663 (E_RNA) where: Base-Base interactions energy: -655.928 where: short stacking energy: -302.236 Base-Backbone interact. energy: 1.399 local terms energy: -416.772220 where: bonds (distance) C4'-P energy: -87.777 bonds (distance) P-C4' energy: -98.004 flat angles C4'-P-C4' energy: -95.699 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -79.571 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: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1099.943436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.943436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.943436 (E_RNA) where: Base-Base interactions energy: -702.649 where: short stacking energy: -319.872 Base-Backbone interact. energy: 0.206 local terms energy: -397.500136 where: bonds (distance) C4'-P energy: -81.003 bonds (distance) P-C4' energy: -79.928 flat angles C4'-P-C4' energy: -86.056 flat angles P-C4'-P energy: -70.856 tors. eta vs tors. theta energy: -79.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -823.422966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.422966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.422966 (E_RNA) where: Base-Base interactions energy: -471.414 where: short stacking energy: -227.043 Base-Backbone interact. energy: -0.851 local terms energy: -351.157635 where: bonds (distance) C4'-P energy: -76.550 bonds (distance) P-C4' energy: -103.201 flat angles C4'-P-C4' energy: -89.643 flat angles P-C4'-P energy: -47.319 tors. eta vs tors. theta energy: -34.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -684.983614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.983614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.983614 (E_RNA) where: Base-Base interactions energy: -377.152 where: short stacking energy: -208.210 Base-Backbone interact. energy: -1.268 local terms energy: -306.562962 where: bonds (distance) C4'-P energy: -80.751 bonds (distance) P-C4' energy: -82.195 flat angles C4'-P-C4' energy: -82.318 flat angles P-C4'-P energy: -44.803 tors. eta vs tors. theta energy: -16.495 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: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -545.968438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.968438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.968438 (E_RNA) where: Base-Base interactions energy: -287.145 where: short stacking energy: -164.888 Base-Backbone interact. energy: 0.677 local terms energy: -259.501049 where: bonds (distance) C4'-P energy: -74.562 bonds (distance) P-C4' energy: -63.143 flat angles C4'-P-C4' energy: -66.678 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -403.412671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.412671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.412671 (E_RNA) where: Base-Base interactions energy: -159.326 where: short stacking energy: -122.262 Base-Backbone interact. energy: 1.487 local terms energy: -245.573844 where: bonds (distance) C4'-P energy: -64.905 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -66.079 flat angles P-C4'-P energy: -41.052 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1551.909077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.909077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.909077 (E_RNA) where: Base-Base interactions energy: -1043.072 where: short stacking energy: -479.701 Base-Backbone interact. energy: -0.985 local terms energy: -507.852461 where: bonds (distance) C4'-P energy: -98.452 bonds (distance) P-C4' energy: -86.342 flat angles C4'-P-C4' energy: -108.355 flat angles P-C4'-P energy: -76.685 tors. eta vs tors. theta energy: -138.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1460.841575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.841575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.841575 (E_RNA) where: Base-Base interactions energy: -975.110 where: short stacking energy: -462.382 Base-Backbone interact. energy: -3.321 local terms energy: -482.410679 where: bonds (distance) C4'-P energy: -77.134 bonds (distance) P-C4' energy: -97.432 flat angles C4'-P-C4' energy: -101.526 flat angles P-C4'-P energy: -71.450 tors. eta vs tors. theta energy: -134.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1297.638013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.638013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.638013 (E_RNA) where: Base-Base interactions energy: -857.394 where: short stacking energy: -382.224 Base-Backbone interact. energy: -1.107 local terms energy: -439.137631 where: bonds (distance) C4'-P energy: -78.696 bonds (distance) P-C4' energy: -94.229 flat angles C4'-P-C4' energy: -89.134 flat angles P-C4'-P energy: -69.093 tors. eta vs tors. theta energy: -107.987 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: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1209.118577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.118577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.118577 (E_RNA) where: Base-Base interactions energy: -787.123 where: short stacking energy: -385.814 Base-Backbone interact. energy: -1.931 local terms energy: -420.064682 where: bonds (distance) C4'-P energy: -81.748 bonds (distance) P-C4' energy: -91.066 flat angles C4'-P-C4' energy: -87.342 flat angles P-C4'-P energy: -59.377 tors. eta vs tors. theta energy: -100.531 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: 225 Temperature: 1.100000 Total energy: -1082.123561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.123561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.123561 (E_RNA) where: Base-Base interactions energy: -676.964 where: short stacking energy: -321.114 Base-Backbone interact. energy: 0.600 local terms energy: -405.759937 where: bonds (distance) C4'-P energy: -65.815 bonds (distance) P-C4' energy: -92.717 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -80.841 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: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1059.741282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.741282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.741282 (E_RNA) where: Base-Base interactions energy: -664.636 where: short stacking energy: -281.228 Base-Backbone interact. energy: -1.577 local terms energy: -393.528989 where: bonds (distance) C4'-P energy: -85.751 bonds (distance) P-C4' energy: -95.609 flat angles C4'-P-C4' energy: -89.559 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -64.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -859.284304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.284304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.284304 (E_RNA) where: Base-Base interactions energy: -504.940 where: short stacking energy: -231.472 Base-Backbone interact. energy: 1.681 local terms energy: -356.025216 where: bonds (distance) C4'-P energy: -85.104 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -79.802 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -45.341 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: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -665.948634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.948634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.948634 (E_RNA) where: Base-Base interactions energy: -364.594 where: short stacking energy: -206.766 Base-Backbone interact. energy: 1.061 local terms energy: -302.415874 where: bonds (distance) C4'-P energy: -77.642 bonds (distance) P-C4' energy: -78.229 flat angles C4'-P-C4' energy: -67.194 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -30.193 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: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -529.420505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.420505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.420505 (E_RNA) where: Base-Base interactions energy: -261.343 where: short stacking energy: -133.056 Base-Backbone interact. energy: -1.586 local terms energy: -266.491455 where: bonds (distance) C4'-P energy: -66.229 bonds (distance) P-C4' energy: -86.173 flat angles C4'-P-C4' energy: -76.774 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: 11.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -372.452232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.452232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.452232 (E_RNA) where: Base-Base interactions energy: -117.218 where: short stacking energy: -88.840 Base-Backbone interact. energy: -0.157 local terms energy: -255.077586 where: bonds (distance) C4'-P energy: -82.635 bonds (distance) P-C4' energy: -74.458 flat angles C4'-P-C4' energy: -79.602 flat angles P-C4'-P energy: -36.966 tors. eta vs tors. theta energy: 18.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1527.320327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.320327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.320327 (E_RNA) where: Base-Base interactions energy: -1050.218 where: short stacking energy: -479.322 Base-Backbone interact. energy: -1.191 local terms energy: -475.911313 where: bonds (distance) C4'-P energy: -95.912 bonds (distance) P-C4' energy: -83.892 flat angles C4'-P-C4' energy: -97.884 flat angles P-C4'-P energy: -59.762 tors. eta vs tors. theta energy: -138.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1493.864292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.864292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.864292 (E_RNA) where: Base-Base interactions energy: -995.866 where: short stacking energy: -461.773 Base-Backbone interact. energy: 2.545 local terms energy: -500.543620 where: bonds (distance) C4'-P energy: -82.594 bonds (distance) P-C4' energy: -88.420 flat angles C4'-P-C4' energy: -111.938 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -141.730 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: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1319.737248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.737248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.737248 (E_RNA) where: Base-Base interactions energy: -852.207 where: short stacking energy: -409.117 Base-Backbone interact. energy: -0.947 local terms energy: -466.583004 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -98.679 flat angles C4'-P-C4' energy: -95.946 flat angles P-C4'-P energy: -66.994 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: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1244.811507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.811507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.811507 (E_RNA) where: Base-Base interactions energy: -826.675 where: short stacking energy: -384.670 Base-Backbone interact. energy: -0.550 local terms energy: -417.586510 where: bonds (distance) C4'-P energy: -89.099 bonds (distance) P-C4' energy: -89.812 flat angles C4'-P-C4' energy: -91.956 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -89.740 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: 5 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1203.333506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.333506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.333506 (E_RNA) where: Base-Base interactions energy: -792.604 where: short stacking energy: -371.339 Base-Backbone interact. energy: -0.437 local terms energy: -410.292332 where: bonds (distance) C4'-P energy: -64.131 bonds (distance) P-C4' energy: -74.925 flat angles C4'-P-C4' energy: -106.350 flat angles P-C4'-P energy: -60.896 tors. eta vs tors. theta energy: -103.990 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: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1059.728829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.728829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.728829 (E_RNA) where: Base-Base interactions energy: -643.417 where: short stacking energy: -282.977 Base-Backbone interact. energy: 1.322 local terms energy: -417.634431 where: bonds (distance) C4'-P energy: -75.008 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -85.223 flat angles P-C4'-P energy: -77.693 tors. eta vs tors. theta energy: -80.614 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: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -877.532397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.532397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.532397 (E_RNA) where: Base-Base interactions energy: -536.111 where: short stacking energy: -270.818 Base-Backbone interact. energy: -0.978 local terms energy: -340.443034 where: bonds (distance) C4'-P energy: -82.952 bonds (distance) P-C4' energy: -75.140 flat angles C4'-P-C4' energy: -79.262 flat angles P-C4'-P energy: -51.039 tors. eta vs tors. theta energy: -52.050 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: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -705.017171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.017171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.017171 (E_RNA) where: Base-Base interactions energy: -367.367 where: short stacking energy: -198.880 Base-Backbone interact. energy: -1.679 local terms energy: -335.971561 where: bonds (distance) C4'-P energy: -94.511 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -68.934 flat angles P-C4'-P energy: -58.740 tors. eta vs tors. theta energy: -23.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -524.427088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.427088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.427088 (E_RNA) where: Base-Base interactions energy: -257.147 where: short stacking energy: -143.407 Base-Backbone interact. energy: -2.243 local terms energy: -265.037774 where: bonds (distance) C4'-P energy: -78.903 bonds (distance) P-C4' energy: -75.340 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -52.590 tors. eta vs tors. theta energy: 13.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -422.224833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.224833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.224833 (E_RNA) where: Base-Base interactions energy: -162.551 where: short stacking energy: -146.354 Base-Backbone interact. energy: -0.834 local terms energy: -258.839763 where: bonds (distance) C4'-P energy: -84.266 bonds (distance) P-C4' energy: -68.762 flat angles C4'-P-C4' energy: -59.170 flat angles P-C4'-P energy: -36.847 tors. eta vs tors. theta energy: -9.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1554.660056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.660056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.660056 (E_RNA) where: Base-Base interactions energy: -1048.700 where: short stacking energy: -472.885 Base-Backbone interact. energy: -2.377 local terms energy: -503.583259 where: bonds (distance) C4'-P energy: -103.666 bonds (distance) P-C4' energy: -88.658 flat angles C4'-P-C4' energy: -107.188 flat angles P-C4'-P energy: -63.755 tors. eta vs tors. theta energy: -140.318 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: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1463.851732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.851732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.851732 (E_RNA) where: Base-Base interactions energy: -978.963 where: short stacking energy: -426.167 Base-Backbone interact. energy: -1.374 local terms energy: -483.514720 where: bonds (distance) C4'-P energy: -81.175 bonds (distance) P-C4' energy: -102.538 flat angles C4'-P-C4' energy: -98.331 flat angles P-C4'-P energy: -72.999 tors. eta vs tors. theta energy: -128.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1295.583314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.583314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.583314 (E_RNA) where: Base-Base interactions energy: -830.509 where: short stacking energy: -373.937 Base-Backbone interact. energy: -2.220 local terms energy: -462.854230 where: bonds (distance) C4'-P energy: -90.890 bonds (distance) P-C4' energy: -101.926 flat angles C4'-P-C4' energy: -107.983 flat angles P-C4'-P energy: -75.223 tors. eta vs tors. theta energy: -86.832 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: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1243.464222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.464222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.464222 (E_RNA) where: Base-Base interactions energy: -807.835 where: short stacking energy: -394.380 Base-Backbone interact. energy: 0.985 local terms energy: -436.614281 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -71.710 flat angles C4'-P-C4' energy: -105.764 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -108.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1225.728710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.728710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.728710 (E_RNA) where: Base-Base interactions energy: -784.300 where: short stacking energy: -377.683 Base-Backbone interact. energy: -0.270 local terms energy: -441.158003 where: bonds (distance) C4'-P energy: -86.068 bonds (distance) P-C4' energy: -83.676 flat angles C4'-P-C4' energy: -99.782 flat angles P-C4'-P energy: -66.325 tors. eta vs tors. theta energy: -105.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1078.660705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.660705 (E_RNA) where: Base-Base interactions energy: -671.067 where: short stacking energy: -339.355 Base-Backbone interact. energy: -1.264 local terms energy: -406.329685 where: bonds (distance) C4'-P energy: -78.559 bonds (distance) P-C4' energy: -87.113 flat angles C4'-P-C4' energy: -102.364 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -889.216774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.216774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.216774 (E_RNA) where: Base-Base interactions energy: -540.156 where: short stacking energy: -261.910 Base-Backbone interact. energy: -0.478 local terms energy: -348.582901 where: bonds (distance) C4'-P energy: -67.316 bonds (distance) P-C4' energy: -89.281 flat angles C4'-P-C4' energy: -90.622 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -54.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -692.795706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.795706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.795706 (E_RNA) where: Base-Base interactions energy: -381.326 where: short stacking energy: -190.607 Base-Backbone interact. energy: -1.753 local terms energy: -309.716504 where: bonds (distance) C4'-P energy: -76.194 bonds (distance) P-C4' energy: -85.197 flat angles C4'-P-C4' energy: -75.740 flat angles P-C4'-P energy: -47.419 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: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -548.857100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.857100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.857100 (E_RNA) where: Base-Base interactions energy: -263.280 where: short stacking energy: -164.723 Base-Backbone interact. energy: -2.563 local terms energy: -283.013958 where: bonds (distance) C4'-P energy: -73.136 bonds (distance) P-C4' energy: -89.393 flat angles C4'-P-C4' energy: -79.370 flat angles P-C4'-P energy: -34.115 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -381.672576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.672576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.672576 (E_RNA) where: Base-Base interactions energy: -153.533 where: short stacking energy: -120.652 Base-Backbone interact. energy: -0.581 local terms energy: -227.558214 where: bonds (distance) C4'-P energy: -63.888 bonds (distance) P-C4' energy: -76.870 flat angles C4'-P-C4' energy: -59.274 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: 8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1563.897978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.897978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.897978 (E_RNA) where: Base-Base interactions energy: -1052.046 where: short stacking energy: -466.785 Base-Backbone interact. energy: -0.988 local terms energy: -510.863867 where: bonds (distance) C4'-P energy: -100.567 bonds (distance) P-C4' energy: -92.371 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: -134.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1486.702935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.702935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.702935 (E_RNA) where: Base-Base interactions energy: -970.781 where: short stacking energy: -435.050 Base-Backbone interact. energy: -1.624 local terms energy: -514.297795 where: bonds (distance) C4'-P energy: -93.992 bonds (distance) P-C4' energy: -108.890 flat angles C4'-P-C4' energy: -105.649 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: -135.609 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: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1267.428474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.428474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.428474 (E_RNA) where: Base-Base interactions energy: -829.338 where: short stacking energy: -399.606 Base-Backbone interact. energy: -3.380 local terms energy: -434.710423 where: bonds (distance) C4'-P energy: -83.057 bonds (distance) P-C4' energy: -99.320 flat angles C4'-P-C4' energy: -88.621 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: -104.343 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: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1300.210437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.210437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.210437 (E_RNA) where: Base-Base interactions energy: -829.831 where: short stacking energy: -396.802 Base-Backbone interact. energy: -2.424 local terms energy: -467.955630 where: bonds (distance) C4'-P energy: -97.540 bonds (distance) P-C4' energy: -87.879 flat angles C4'-P-C4' energy: -105.213 flat angles P-C4'-P energy: -63.351 tors. eta vs tors. theta energy: -113.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1192.334989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.334989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.334989 (E_RNA) where: Base-Base interactions energy: -779.191 where: short stacking energy: -369.440 Base-Backbone interact. energy: -0.721 local terms energy: -412.423014 where: bonds (distance) C4'-P energy: -76.017 bonds (distance) P-C4' energy: -75.231 flat angles C4'-P-C4' energy: -89.308 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -109.402 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: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1018.204053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.204053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.204053 (E_RNA) where: Base-Base interactions energy: -637.000 where: short stacking energy: -310.484 Base-Backbone interact. energy: -0.004 local terms energy: -381.200029 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -75.618 flat angles C4'-P-C4' energy: -95.309 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -85.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -911.512491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.512491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.512491 (E_RNA) where: Base-Base interactions energy: -551.368 where: short stacking energy: -244.427 Base-Backbone interact. energy: -1.370 local terms energy: -358.774486 where: bonds (distance) C4'-P energy: -91.061 bonds (distance) P-C4' energy: -77.414 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -60.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -645.643665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.643665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.643665 (E_RNA) where: Base-Base interactions energy: -328.842 where: short stacking energy: -178.551 Base-Backbone interact. energy: -1.443 local terms energy: -315.358215 where: bonds (distance) C4'-P energy: -88.805 bonds (distance) P-C4' energy: -85.520 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -18.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -518.757377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.757377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.757377 (E_RNA) where: Base-Base interactions energy: -249.061 where: short stacking energy: -142.341 Base-Backbone interact. energy: 4.796 local terms energy: -274.492829 where: bonds (distance) C4'-P energy: -76.679 bonds (distance) P-C4' energy: -79.056 flat angles C4'-P-C4' energy: -72.138 flat angles P-C4'-P energy: -40.628 tors. eta vs tors. theta energy: -5.993 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: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -355.438554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.438554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.438554 (E_RNA) where: Base-Base interactions energy: -104.529 where: short stacking energy: -97.199 Base-Backbone interact. energy: 0.850 local terms energy: -251.759579 where: bonds (distance) C4'-P energy: -73.665 bonds (distance) P-C4' energy: -94.368 flat angles C4'-P-C4' energy: -75.106 flat angles P-C4'-P energy: -25.419 tors. eta vs tors. theta energy: 16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1559.962064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.962064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.962064 (E_RNA) where: Base-Base interactions energy: -1060.119 where: short stacking energy: -484.701 Base-Backbone interact. energy: -0.172 local terms energy: -499.670843 where: bonds (distance) C4'-P energy: -105.852 bonds (distance) P-C4' energy: -94.424 flat angles C4'-P-C4' energy: -108.890 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -128.600 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: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1478.071999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.071999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.071999 (E_RNA) where: Base-Base interactions energy: -986.271 where: short stacking energy: -464.706 Base-Backbone interact. energy: -0.892 local terms energy: -490.908291 where: bonds (distance) C4'-P energy: -88.052 bonds (distance) P-C4' energy: -80.150 flat angles C4'-P-C4' energy: -97.972 flat angles P-C4'-P energy: -70.048 tors. eta vs tors. theta energy: -154.685 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: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1239.992238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.992238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.992238 (E_RNA) where: Base-Base interactions energy: -799.477 where: short stacking energy: -376.321 Base-Backbone interact. energy: -3.252 local terms energy: -437.263213 where: bonds (distance) C4'-P energy: -89.810 bonds (distance) P-C4' energy: -91.922 flat angles C4'-P-C4' energy: -110.806 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -82.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1254.786344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.786344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.786344 (E_RNA) where: Base-Base interactions energy: -805.502 where: short stacking energy: -367.129 Base-Backbone interact. energy: -2.055 local terms energy: -447.228916 where: bonds (distance) C4'-P energy: -88.012 bonds (distance) P-C4' energy: -99.228 flat angles C4'-P-C4' energy: -83.729 flat angles P-C4'-P energy: -61.083 tors. eta vs tors. theta energy: -115.177 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: 5, replica: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1207.045496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.045496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.045496 (E_RNA) where: Base-Base interactions energy: -764.181 where: short stacking energy: -384.821 Base-Backbone interact. energy: -2.464 local terms energy: -440.400882 where: bonds (distance) C4'-P energy: -96.432 bonds (distance) P-C4' energy: -86.261 flat angles C4'-P-C4' energy: -96.411 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: -108.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -952.486741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.486741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.486741 (E_RNA) where: Base-Base interactions energy: -583.465 where: short stacking energy: -273.350 Base-Backbone interact. energy: -1.204 local terms energy: -367.817532 where: bonds (distance) C4'-P energy: -73.080 bonds (distance) P-C4' energy: -91.173 flat angles C4'-P-C4' energy: -83.908 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -64.003 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: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -927.013339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.013339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.013339 (E_RNA) where: Base-Base interactions energy: -542.553 where: short stacking energy: -273.996 Base-Backbone interact. energy: 1.802 local terms energy: -386.262926 where: bonds (distance) C4'-P energy: -81.230 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -88.534 flat angles P-C4'-P energy: -48.264 tors. eta vs tors. theta energy: -72.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -596.025015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.025015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.025015 (E_RNA) where: Base-Base interactions energy: -306.249 where: short stacking energy: -202.413 Base-Backbone interact. energy: -0.295 local terms energy: -289.481254 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -88.051 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -40.482 tors. eta vs tors. theta energy: -22.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -629.852619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.852619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.852619 (E_RNA) where: Base-Base interactions energy: -340.837 where: short stacking energy: -174.792 Base-Backbone interact. energy: -1.353 local terms energy: -287.662158 where: bonds (distance) C4'-P energy: -85.974 bonds (distance) P-C4' energy: -85.800 flat angles C4'-P-C4' energy: -62.996 flat angles P-C4'-P energy: -41.855 tors. eta vs tors. theta energy: -11.037 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: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -402.176233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.176233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.176233 (E_RNA) where: Base-Base interactions energy: -150.848 where: short stacking energy: -103.204 Base-Backbone interact. energy: -2.895 local terms energy: -248.432376 where: bonds (distance) C4'-P energy: -83.426 bonds (distance) P-C4' energy: -67.506 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -51.788 tors. eta vs tors. theta energy: 26.496 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: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1550.347905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.347905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.347905 (E_RNA) where: Base-Base interactions energy: -1052.576 where: short stacking energy: -463.661 Base-Backbone interact. energy: -0.478 local terms energy: -497.294326 where: bonds (distance) C4'-P energy: -93.305 bonds (distance) P-C4' energy: -90.902 flat angles C4'-P-C4' energy: -107.907 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -133.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1494.163620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.163620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.163620 (E_RNA) where: Base-Base interactions energy: -969.717 where: short stacking energy: -455.011 Base-Backbone interact. energy: 3.077 local terms energy: -527.523373 where: bonds (distance) C4'-P energy: -96.629 bonds (distance) P-C4' energy: -90.840 flat angles C4'-P-C4' energy: -118.873 flat angles P-C4'-P energy: -76.600 tors. eta vs tors. theta energy: -144.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1337.444400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.444400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.444400 (E_RNA) where: Base-Base interactions energy: -855.643 where: short stacking energy: -406.251 Base-Backbone interact. energy: -1.264 local terms energy: -480.537618 where: bonds (distance) C4'-P energy: -92.806 bonds (distance) P-C4' energy: -95.727 flat angles C4'-P-C4' energy: -109.814 flat angles P-C4'-P energy: -70.466 tors. eta vs tors. theta energy: -111.725 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1263.127353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.127353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.127353 (E_RNA) where: Base-Base interactions energy: -826.914 where: short stacking energy: -374.633 Base-Backbone interact. energy: -4.585 local terms energy: -431.628419 where: bonds (distance) C4'-P energy: -95.794 bonds (distance) P-C4' energy: -80.801 flat angles C4'-P-C4' energy: -94.939 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -98.901 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: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1173.723249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.723249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.723249 (E_RNA) where: Base-Base interactions energy: -755.943 where: short stacking energy: -346.040 Base-Backbone interact. energy: -2.560 local terms energy: -415.220502 where: bonds (distance) C4'-P energy: -86.254 bonds (distance) P-C4' energy: -85.046 flat angles C4'-P-C4' energy: -95.762 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -86.451 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: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -981.593928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.593928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.593928 (E_RNA) where: Base-Base interactions energy: -601.853 where: short stacking energy: -306.252 Base-Backbone interact. energy: -2.645 local terms energy: -377.096600 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -88.401 flat angles P-C4'-P energy: -64.336 tors. eta vs tors. theta energy: -71.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -861.931012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.931012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.931012 (E_RNA) where: Base-Base interactions energy: -491.070 where: short stacking energy: -237.331 Base-Backbone interact. energy: -3.798 local terms energy: -367.062295 where: bonds (distance) C4'-P energy: -74.231 bonds (distance) P-C4' energy: -87.431 flat angles C4'-P-C4' energy: -91.448 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -54.070 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: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -559.236959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.236959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.236959 (E_RNA) where: Base-Base interactions energy: -268.481 where: short stacking energy: -161.618 Base-Backbone interact. energy: 0.752 local terms energy: -291.508076 where: bonds (distance) C4'-P energy: -70.617 bonds (distance) P-C4' energy: -83.950 flat angles C4'-P-C4' energy: -80.121 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -652.905561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.905561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.905561 (E_RNA) where: Base-Base interactions energy: -339.415 where: short stacking energy: -180.855 Base-Backbone interact. energy: 2.219 local terms energy: -315.709543 where: bonds (distance) C4'-P energy: -85.020 bonds (distance) P-C4' energy: -72.518 flat angles C4'-P-C4' energy: -70.724 flat angles P-C4'-P energy: -63.753 tors. eta vs tors. theta energy: -23.695 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: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -420.708910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.708910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.708910 (E_RNA) where: Base-Base interactions energy: -140.787 where: short stacking energy: -88.823 Base-Backbone interact. energy: 0.386 local terms energy: -280.307780 where: bonds (distance) C4'-P energy: -76.134 bonds (distance) P-C4' energy: -81.646 flat angles C4'-P-C4' energy: -81.536 flat angles P-C4'-P energy: -59.106 tors. eta vs tors. theta energy: 18.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1549.738325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.738325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.738325 (E_RNA) where: Base-Base interactions energy: -1033.907 where: short stacking energy: -464.941 Base-Backbone interact. energy: -0.448 local terms energy: -515.383139 where: bonds (distance) C4'-P energy: -90.905 bonds (distance) P-C4' energy: -106.566 flat angles C4'-P-C4' energy: -107.693 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -140.448 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: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1482.034664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.034664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.034664 (E_RNA) where: Base-Base interactions energy: -978.440 where: short stacking energy: -449.511 Base-Backbone interact. energy: -0.380 local terms energy: -503.214741 where: bonds (distance) C4'-P energy: -101.116 bonds (distance) P-C4' energy: -88.516 flat angles C4'-P-C4' energy: -105.452 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -138.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1307.526327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.526327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.526327 (E_RNA) where: Base-Base interactions energy: -839.782 where: short stacking energy: -401.265 Base-Backbone interact. energy: -2.548 local terms energy: -465.195721 where: bonds (distance) C4'-P energy: -90.292 bonds (distance) P-C4' energy: -92.800 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -54.117 tors. eta vs tors. theta energy: -120.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1250.708819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.708819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.708819 (E_RNA) where: Base-Base interactions energy: -800.649 where: short stacking energy: -371.473 Base-Backbone interact. energy: -0.643 local terms energy: -449.416738 where: bonds (distance) C4'-P energy: -93.460 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -67.686 tors. eta vs tors. theta energy: -97.388 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: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1174.205168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.205168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.205168 (E_RNA) where: Base-Base interactions energy: -771.347 where: short stacking energy: -362.476 Base-Backbone interact. energy: -2.373 local terms energy: -400.485291 where: bonds (distance) C4'-P energy: -92.757 bonds (distance) P-C4' energy: -81.037 flat angles C4'-P-C4' energy: -84.466 flat angles P-C4'-P energy: -50.877 tors. eta vs tors. theta energy: -91.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -959.758153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.758153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.758153 (E_RNA) where: Base-Base interactions energy: -595.960 where: short stacking energy: -274.725 Base-Backbone interact. energy: -1.035 local terms energy: -362.763326 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -88.749 flat angles C4'-P-C4' energy: -93.333 flat angles P-C4'-P energy: -67.263 tors. eta vs tors. theta energy: -49.836 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: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -818.935026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.935026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.935026 (E_RNA) where: Base-Base interactions energy: -475.779 where: short stacking energy: -227.366 Base-Backbone interact. energy: -0.685 local terms energy: -342.471007 where: bonds (distance) C4'-P energy: -72.330 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -84.258 flat angles P-C4'-P energy: -49.332 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: 8, replica: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -674.302335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.302335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.302335 (E_RNA) where: Base-Base interactions energy: -392.936 where: short stacking energy: -214.321 Base-Backbone interact. energy: 0.372 local terms energy: -281.738872 where: bonds (distance) C4'-P energy: -67.164 bonds (distance) P-C4' energy: -88.375 flat angles C4'-P-C4' energy: -56.250 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -21.908 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: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -520.040067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.040067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.040067 (E_RNA) where: Base-Base interactions energy: -264.982 where: short stacking energy: -156.745 Base-Backbone interact. energy: -0.378 local terms energy: -254.680753 where: bonds (distance) C4'-P energy: -63.492 bonds (distance) P-C4' energy: -81.491 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -50.684 tors. eta vs tors. theta energy: 15.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -416.235767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.235767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.235767 (E_RNA) where: Base-Base interactions energy: -165.292 where: short stacking energy: -107.820 Base-Backbone interact. energy: 3.882 local terms energy: -254.825325 where: bonds (distance) C4'-P energy: -78.516 bonds (distance) P-C4' energy: -90.059 flat angles C4'-P-C4' energy: -63.556 flat angles P-C4'-P energy: -31.390 tors. eta vs tors. theta energy: 8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1542.792874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.792874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.792874 (E_RNA) where: Base-Base interactions energy: -1048.443 where: short stacking energy: -471.157 Base-Backbone interact. energy: -1.107 local terms energy: -493.242504 where: bonds (distance) C4'-P energy: -107.145 bonds (distance) P-C4' energy: -87.640 flat angles C4'-P-C4' energy: -94.270 flat angles P-C4'-P energy: -78.742 tors. eta vs tors. theta energy: -125.445 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: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1521.124210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.124210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.124210 (E_RNA) where: Base-Base interactions energy: -998.784 where: short stacking energy: -478.730 Base-Backbone interact. energy: -2.342 local terms energy: -519.997723 where: bonds (distance) C4'-P energy: -78.979 bonds (distance) P-C4' energy: -92.871 flat angles C4'-P-C4' energy: -115.804 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -155.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1295.125812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.125812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.125812 (E_RNA) where: Base-Base interactions energy: -843.655 where: short stacking energy: -404.033 Base-Backbone interact. energy: -0.839 local terms energy: -450.631198 where: bonds (distance) C4'-P energy: -90.341 bonds (distance) P-C4' energy: -86.926 flat angles C4'-P-C4' energy: -106.668 flat angles P-C4'-P energy: -65.055 tors. eta vs tors. theta energy: -101.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1225.185781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.185781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.185781 (E_RNA) where: Base-Base interactions energy: -774.710 where: short stacking energy: -370.729 Base-Backbone interact. energy: -1.905 local terms energy: -448.570893 where: bonds (distance) C4'-P energy: -82.823 bonds (distance) P-C4' energy: -91.723 flat angles C4'-P-C4' energy: -107.998 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: -98.682 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: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1153.021044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.021044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.021044 (E_RNA) where: Base-Base interactions energy: -743.646 where: short stacking energy: -344.494 Base-Backbone interact. energy: -1.223 local terms energy: -408.152058 where: bonds (distance) C4'-P energy: -85.669 bonds (distance) P-C4' energy: -85.640 flat angles C4'-P-C4' energy: -92.585 flat angles P-C4'-P energy: -60.960 tors. eta vs tors. theta energy: -83.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -932.218746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.218746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.218746 (E_RNA) where: Base-Base interactions energy: -553.147 where: short stacking energy: -269.451 Base-Backbone interact. energy: -2.073 local terms energy: -376.998846 where: bonds (distance) C4'-P energy: -89.151 bonds (distance) P-C4' energy: -97.358 flat angles C4'-P-C4' energy: -74.472 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -68.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -862.209076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.209076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.209076 (E_RNA) where: Base-Base interactions energy: -485.389 where: short stacking energy: -258.430 Base-Backbone interact. energy: -1.398 local terms energy: -375.422246 where: bonds (distance) C4'-P energy: -86.961 bonds (distance) P-C4' energy: -103.215 flat angles C4'-P-C4' energy: -82.017 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -63.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -669.687721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.687721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.687721 (E_RNA) where: Base-Base interactions energy: -371.789 where: short stacking energy: -193.949 Base-Backbone interact. energy: 2.920 local terms energy: -300.818833 where: bonds (distance) C4'-P energy: -81.506 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -65.320 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: -23.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -520.821078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.821078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.821078 (E_RNA) where: Base-Base interactions energy: -233.031 where: short stacking energy: -148.217 Base-Backbone interact. energy: -1.431 local terms energy: -286.359223 where: bonds (distance) C4'-P energy: -81.314 bonds (distance) P-C4' energy: -73.490 flat angles C4'-P-C4' energy: -69.054 flat angles P-C4'-P energy: -45.339 tors. eta vs tors. theta energy: -17.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -473.427355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.427355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.427355 (E_RNA) where: Base-Base interactions energy: -197.405 where: short stacking energy: -150.274 Base-Backbone interact. energy: 2.159 local terms energy: -278.181926 where: bonds (distance) C4'-P energy: -83.075 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -62.358 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: 1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1524.452438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.452438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.452438 (E_RNA) where: Base-Base interactions energy: -1035.274 where: short stacking energy: -441.736 Base-Backbone interact. energy: 2.864 local terms energy: -492.042671 where: bonds (distance) C4'-P energy: -95.587 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -110.034 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -124.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1509.167442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.167442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.167442 (E_RNA) where: Base-Base interactions energy: -1003.005 where: short stacking energy: -471.167 Base-Backbone interact. energy: 2.459 local terms energy: -508.621775 where: bonds (distance) C4'-P energy: -87.522 bonds (distance) P-C4' energy: -100.442 flat angles C4'-P-C4' energy: -109.534 flat angles P-C4'-P energy: -63.321 tors. eta vs tors. theta energy: -147.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1300.704973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.704973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.704973 (E_RNA) where: Base-Base interactions energy: -831.271 where: short stacking energy: -428.822 Base-Backbone interact. energy: -0.480 local terms energy: -468.953145 where: bonds (distance) C4'-P energy: -90.952 bonds (distance) P-C4' energy: -97.403 flat angles C4'-P-C4' energy: -95.490 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -129.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1232.210215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.210215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.210215 (E_RNA) where: Base-Base interactions energy: -799.944 where: short stacking energy: -361.403 Base-Backbone interact. energy: 0.789 local terms energy: -433.055251 where: bonds (distance) C4'-P energy: -100.162 bonds (distance) P-C4' energy: -83.112 flat angles C4'-P-C4' energy: -101.237 flat angles P-C4'-P energy: -65.180 tors. eta vs tors. theta energy: -83.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1167.249336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.249336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.249336 (E_RNA) where: Base-Base interactions energy: -741.955 where: short stacking energy: -330.689 Base-Backbone interact. energy: -0.178 local terms energy: -425.116242 where: bonds (distance) C4'-P energy: -91.803 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -91.299 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: -86.035 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: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -952.567924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.567924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.567924 (E_RNA) where: Base-Base interactions energy: -599.490 where: short stacking energy: -280.307 Base-Backbone interact. energy: -1.875 local terms energy: -351.202235 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -93.932 flat angles C4'-P-C4' energy: -87.817 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -58.306 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: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -865.109117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.109117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.109117 (E_RNA) where: Base-Base interactions energy: -519.353 where: short stacking energy: -261.090 Base-Backbone interact. energy: -1.796 local terms energy: -343.960263 where: bonds (distance) C4'-P energy: -86.414 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -89.829 flat angles P-C4'-P energy: -37.515 tors. eta vs tors. theta energy: -55.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -684.509582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.509582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.509582 (E_RNA) where: Base-Base interactions energy: -365.153 where: short stacking energy: -193.362 Base-Backbone interact. energy: 0.419 local terms energy: -319.774979 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -87.549 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -19.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -530.151330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.151330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.151330 (E_RNA) where: Base-Base interactions energy: -238.048 where: short stacking energy: -158.574 Base-Backbone interact. energy: -1.466 local terms energy: -290.637605 where: bonds (distance) C4'-P energy: -83.564 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -73.273 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: -12.012 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: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -396.313979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.313979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.313979 (E_RNA) where: Base-Base interactions energy: -156.217 where: short stacking energy: -120.562 Base-Backbone interact. energy: 1.182 local terms energy: -241.279661 where: bonds (distance) C4'-P energy: -51.188 bonds (distance) P-C4' energy: -80.011 flat angles C4'-P-C4' energy: -69.186 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: 10.663 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1511.294973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.294973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.294973 (E_RNA) where: Base-Base interactions energy: -1015.851 where: short stacking energy: -450.889 Base-Backbone interact. energy: -0.110 local terms energy: -495.334116 where: bonds (distance) C4'-P energy: -94.057 bonds (distance) P-C4' energy: -85.498 flat angles C4'-P-C4' energy: -113.680 flat angles P-C4'-P energy: -73.017 tors. eta vs tors. theta energy: -129.083 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: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1473.594043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.594043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.594043 (E_RNA) where: Base-Base interactions energy: -982.002 where: short stacking energy: -448.829 Base-Backbone interact. energy: -3.001 local terms energy: -488.591170 where: bonds (distance) C4'-P energy: -86.198 bonds (distance) P-C4' energy: -91.264 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -58.465 tors. eta vs tors. theta energy: -141.663 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: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1288.216727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.216727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.216727 (E_RNA) where: Base-Base interactions energy: -837.684 where: short stacking energy: -401.192 Base-Backbone interact. energy: 0.004 local terms energy: -450.536994 where: bonds (distance) C4'-P energy: -71.156 bonds (distance) P-C4' energy: -99.312 flat angles C4'-P-C4' energy: -100.698 flat angles P-C4'-P energy: -60.675 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: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1255.483078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.483078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.483078 (E_RNA) where: Base-Base interactions energy: -806.626 where: short stacking energy: -378.485 Base-Backbone interact. energy: -1.973 local terms energy: -446.884207 where: bonds (distance) C4'-P energy: -74.861 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -111.465 flat angles P-C4'-P energy: -59.412 tors. eta vs tors. theta energy: -110.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1179.381293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.381293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.381293 (E_RNA) where: Base-Base interactions energy: -763.126 where: short stacking energy: -364.946 Base-Backbone interact. energy: -1.011 local terms energy: -415.244785 where: bonds (distance) C4'-P energy: -86.439 bonds (distance) P-C4' energy: -77.295 flat angles C4'-P-C4' energy: -97.529 flat angles P-C4'-P energy: -62.739 tors. eta vs tors. theta energy: -91.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -967.790637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.790637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.790637 (E_RNA) where: Base-Base interactions energy: -620.708 where: short stacking energy: -252.964 Base-Backbone interact. energy: -3.362 local terms energy: -343.720682 where: bonds (distance) C4'-P energy: -81.321 bonds (distance) P-C4' energy: -80.033 flat angles C4'-P-C4' energy: -85.658 flat angles P-C4'-P energy: -55.054 tors. eta vs tors. theta energy: -41.654 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: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -880.809203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.809203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.809203 (E_RNA) where: Base-Base interactions energy: -513.836 where: short stacking energy: -272.389 Base-Backbone interact. energy: -1.572 local terms energy: -365.400947 where: bonds (distance) C4'-P energy: -85.727 bonds (distance) P-C4' energy: -75.807 flat angles C4'-P-C4' energy: -91.965 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -52.367 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: 234 Temperature: 1.250000 Total energy: -653.303364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.303364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.303364 (E_RNA) where: Base-Base interactions energy: -370.464 where: short stacking energy: -185.186 Base-Backbone interact. energy: 0.739 local terms energy: -283.577731 where: bonds (distance) C4'-P energy: -65.059 bonds (distance) P-C4' energy: -72.963 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -30.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -532.131352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.131352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.131352 (E_RNA) where: Base-Base interactions energy: -284.230 where: short stacking energy: -154.816 Base-Backbone interact. energy: 3.170 local terms energy: -251.072236 where: bonds (distance) C4'-P energy: -68.830 bonds (distance) P-C4' energy: -85.671 flat angles C4'-P-C4' energy: -59.400 flat angles P-C4'-P energy: -41.682 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: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -406.527261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.527261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.527261 (E_RNA) where: Base-Base interactions energy: -132.131 where: short stacking energy: -112.988 Base-Backbone interact. energy: 0.626 local terms energy: -275.022161 where: bonds (distance) C4'-P energy: -70.167 bonds (distance) P-C4' energy: -83.665 flat angles C4'-P-C4' energy: -68.871 flat angles P-C4'-P energy: -37.282 tors. eta vs tors. theta energy: -15.037 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: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1514.317651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.317651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.317651 (E_RNA) where: Base-Base interactions energy: -1011.617 where: short stacking energy: -455.976 Base-Backbone interact. energy: -2.669 local terms energy: -500.031746 where: bonds (distance) C4'-P energy: -85.849 bonds (distance) P-C4' energy: -89.685 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -80.727 tors. eta vs tors. theta energy: -137.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1464.543247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.543247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.543247 (E_RNA) where: Base-Base interactions energy: -965.717 where: short stacking energy: -432.084 Base-Backbone interact. energy: 2.075 local terms energy: -500.901459 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -87.769 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -126.405 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: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1319.588870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.588870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.588870 (E_RNA) where: Base-Base interactions energy: -849.349 where: short stacking energy: -402.766 Base-Backbone interact. energy: -1.768 local terms energy: -468.472159 where: bonds (distance) C4'-P energy: -87.488 bonds (distance) P-C4' energy: -86.847 flat angles C4'-P-C4' energy: -100.277 flat angles P-C4'-P energy: -66.656 tors. eta vs tors. theta energy: -127.203 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1233.507296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.507296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.507296 (E_RNA) where: Base-Base interactions energy: -791.885 where: short stacking energy: -345.519 Base-Backbone interact. energy: -2.198 local terms energy: -439.423956 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -84.459 flat angles C4'-P-C4' energy: -103.452 flat angles P-C4'-P energy: -69.762 tors. eta vs tors. theta energy: -91.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1151.188647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.188647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.188647 (E_RNA) where: Base-Base interactions energy: -730.677 where: short stacking energy: -349.545 Base-Backbone interact. energy: -0.896 local terms energy: -419.615239 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -91.147 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -94.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -993.637919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.637919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.637919 (E_RNA) where: Base-Base interactions energy: -588.696 where: short stacking energy: -309.488 Base-Backbone interact. energy: 0.539 local terms energy: -405.481071 where: bonds (distance) C4'-P energy: -86.924 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -64.426 tors. eta vs tors. theta energy: -81.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -848.037677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.037677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.037677 (E_RNA) where: Base-Base interactions energy: -491.838 where: short stacking energy: -259.059 Base-Backbone interact. energy: 0.671 local terms energy: -356.870149 where: bonds (distance) C4'-P energy: -86.159 bonds (distance) P-C4' energy: -96.849 flat angles C4'-P-C4' energy: -71.213 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: -48.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -663.652281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.652281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.652281 (E_RNA) where: Base-Base interactions energy: -349.685 where: short stacking energy: -202.456 Base-Backbone interact. energy: -1.937 local terms energy: -312.030039 where: bonds (distance) C4'-P energy: -80.347 bonds (distance) P-C4' energy: -72.840 flat angles C4'-P-C4' energy: -81.255 flat angles P-C4'-P energy: -45.941 tors. eta vs tors. theta energy: -31.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -541.615826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.615826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.615826 (E_RNA) where: Base-Base interactions energy: -289.197 where: short stacking energy: -154.934 Base-Backbone interact. energy: 2.098 local terms energy: -254.517153 where: bonds (distance) C4'-P energy: -66.132 bonds (distance) P-C4' energy: -84.703 flat angles C4'-P-C4' energy: -74.847 flat angles P-C4'-P energy: -21.737 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -380.292818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.292818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.292818 (E_RNA) where: Base-Base interactions energy: -152.322 where: short stacking energy: -111.055 Base-Backbone interact. energy: -0.626 local terms energy: -227.345120 where: bonds (distance) C4'-P energy: -70.077 bonds (distance) P-C4' energy: -82.537 flat angles C4'-P-C4' energy: -59.680 flat angles P-C4'-P energy: -25.029 tors. eta vs tors. theta energy: 9.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1501.297540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.297540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.297540 (E_RNA) where: Base-Base interactions energy: -1019.665 where: short stacking energy: -454.271 Base-Backbone interact. energy: -1.774 local terms energy: -479.858674 where: bonds (distance) C4'-P energy: -103.270 bonds (distance) P-C4' energy: -76.111 flat angles C4'-P-C4' energy: -109.475 flat angles P-C4'-P energy: -64.327 tors. eta vs tors. theta energy: -126.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1463.247454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.247454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.247454 (E_RNA) where: Base-Base interactions energy: -971.251 where: short stacking energy: -467.432 Base-Backbone interact. energy: -1.377 local terms energy: -490.619635 where: bonds (distance) C4'-P energy: -81.430 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -110.907 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -140.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1331.093395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.093395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.093395 (E_RNA) where: Base-Base interactions energy: -866.105 where: short stacking energy: -411.981 Base-Backbone interact. energy: -1.687 local terms energy: -463.301677 where: bonds (distance) C4'-P energy: -76.554 bonds (distance) P-C4' energy: -98.084 flat angles C4'-P-C4' energy: -98.510 flat angles P-C4'-P energy: -68.589 tors. eta vs tors. theta energy: -121.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1210.008233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.008233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.008233 (E_RNA) where: Base-Base interactions energy: -798.055 where: short stacking energy: -368.512 Base-Backbone interact. energy: -0.475 local terms energy: -411.478954 where: bonds (distance) C4'-P energy: -82.484 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -92.690 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -96.418 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: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1132.411739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.411739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.411739 (E_RNA) where: Base-Base interactions energy: -716.421 where: short stacking energy: -325.356 Base-Backbone interact. energy: -2.178 local terms energy: -413.813236 where: bonds (distance) C4'-P energy: -86.041 bonds (distance) P-C4' energy: -91.427 flat angles C4'-P-C4' energy: -80.499 flat angles P-C4'-P energy: -60.892 tors. eta vs tors. theta energy: -94.955 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: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -980.277962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.277962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.277962 (E_RNA) where: Base-Base interactions energy: -613.770 where: short stacking energy: -311.633 Base-Backbone interact. energy: 0.929 local terms energy: -367.436674 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -82.203 flat angles C4'-P-C4' energy: -96.484 flat angles P-C4'-P energy: -56.427 tors. eta vs tors. theta energy: -80.132 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: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -826.783368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.783368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.783368 (E_RNA) where: Base-Base interactions energy: -500.032 where: short stacking energy: -262.117 Base-Backbone interact. energy: -0.249 local terms energy: -326.501698 where: bonds (distance) C4'-P energy: -96.801 bonds (distance) P-C4' energy: -73.161 flat angles C4'-P-C4' energy: -70.720 flat angles P-C4'-P energy: -50.524 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: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -649.567620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.567620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.567620 (E_RNA) where: Base-Base interactions energy: -347.241 where: short stacking energy: -203.054 Base-Backbone interact. energy: 1.777 local terms energy: -304.103258 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -90.200 flat angles C4'-P-C4' energy: -86.766 flat angles P-C4'-P energy: -34.309 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -526.294729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.294729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.294729 (E_RNA) where: Base-Base interactions energy: -269.109 where: short stacking energy: -164.172 Base-Backbone interact. energy: 2.391 local terms energy: -259.577215 where: bonds (distance) C4'-P energy: -74.679 bonds (distance) P-C4' energy: -71.004 flat angles C4'-P-C4' energy: -75.067 flat angles P-C4'-P energy: -45.501 tors. eta vs tors. theta energy: 6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -403.934878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.934878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.934878 (E_RNA) where: Base-Base interactions energy: -136.546 where: short stacking energy: -126.089 Base-Backbone interact. energy: -1.400 local terms energy: -265.989325 where: bonds (distance) C4'-P energy: -81.528 bonds (distance) P-C4' energy: -78.177 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1522.993401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.993401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.993401 (E_RNA) where: Base-Base interactions energy: -1023.166 where: short stacking energy: -466.996 Base-Backbone interact. energy: -2.070 local terms energy: -497.757108 where: bonds (distance) C4'-P energy: -91.692 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -105.336 flat angles P-C4'-P energy: -73.202 tors. eta vs tors. theta energy: -136.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1435.060332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.060332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.060332 (E_RNA) where: Base-Base interactions energy: -951.570 where: short stacking energy: -436.934 Base-Backbone interact. energy: -1.828 local terms energy: -481.662172 where: bonds (distance) C4'-P energy: -84.986 bonds (distance) P-C4' energy: -96.686 flat angles C4'-P-C4' energy: -100.021 flat angles P-C4'-P energy: -77.365 tors. eta vs tors. theta energy: -122.604 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: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1333.677370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.677370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.677370 (E_RNA) where: Base-Base interactions energy: -860.550 where: short stacking energy: -393.462 Base-Backbone interact. energy: -2.390 local terms energy: -470.737080 where: bonds (distance) C4'-P energy: -92.809 bonds (distance) P-C4' energy: -97.061 flat angles C4'-P-C4' energy: -107.889 flat angles P-C4'-P energy: -65.417 tors. eta vs tors. theta energy: -107.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1196.435631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.435631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.435631 (E_RNA) where: Base-Base interactions energy: -805.469 where: short stacking energy: -364.782 Base-Backbone interact. energy: 0.196 local terms energy: -391.163145 where: bonds (distance) C4'-P energy: -73.849 bonds (distance) P-C4' energy: -83.670 flat angles C4'-P-C4' energy: -89.482 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -92.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1148.416542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.416542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.416542 (E_RNA) where: Base-Base interactions energy: -730.644 where: short stacking energy: -356.985 Base-Backbone interact. energy: -3.045 local terms energy: -414.728308 where: bonds (distance) C4'-P energy: -85.971 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -76.561 flat angles P-C4'-P energy: -60.818 tors. eta vs tors. theta energy: -93.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -960.676557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.676557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.676557 (E_RNA) where: Base-Base interactions energy: -589.135 where: short stacking energy: -282.416 Base-Backbone interact. energy: -0.022 local terms energy: -371.519120 where: bonds (distance) C4'-P energy: -73.362 bonds (distance) P-C4' energy: -81.933 flat angles C4'-P-C4' energy: -84.991 flat angles P-C4'-P energy: -54.254 tors. eta vs tors. theta energy: -76.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -874.986908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.986908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.986908 (E_RNA) where: Base-Base interactions energy: -508.290 where: short stacking energy: -255.759 Base-Backbone interact. energy: -0.966 local terms energy: -365.730273 where: bonds (distance) C4'-P energy: -86.309 bonds (distance) P-C4' energy: -84.648 flat angles C4'-P-C4' energy: -94.807 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: -42.741 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: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -652.769450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.769450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.769450 (E_RNA) where: Base-Base interactions energy: -332.027 where: short stacking energy: -183.504 Base-Backbone interact. energy: -2.164 local terms energy: -318.578660 where: bonds (distance) C4'-P energy: -83.476 bonds (distance) P-C4' energy: -79.533 flat angles C4'-P-C4' energy: -76.572 flat angles P-C4'-P energy: -54.136 tors. eta vs tors. theta energy: -24.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -531.365300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.365300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.365300 (E_RNA) where: Base-Base interactions energy: -275.097 where: short stacking energy: -158.459 Base-Backbone interact. energy: 2.124 local terms energy: -258.392499 where: bonds (distance) C4'-P energy: -80.337 bonds (distance) P-C4' energy: -75.041 flat angles C4'-P-C4' energy: -65.352 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: 0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -383.547578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.547578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.547578 (E_RNA) where: Base-Base interactions energy: -124.568 where: short stacking energy: -115.777 Base-Backbone interact. energy: 2.197 local terms energy: -261.176597 where: bonds (distance) C4'-P energy: -100.243 bonds (distance) P-C4' energy: -78.875 flat angles C4'-P-C4' energy: -70.914 flat angles P-C4'-P energy: -24.942 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: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1529.516247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.516247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.516247 (E_RNA) where: Base-Base interactions energy: -1036.012 where: short stacking energy: -464.524 Base-Backbone interact. energy: -1.204 local terms energy: -492.301019 where: bonds (distance) C4'-P energy: -88.272 bonds (distance) P-C4' energy: -104.510 flat angles C4'-P-C4' energy: -103.425 flat angles P-C4'-P energy: -69.964 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: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1457.746163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.746163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.746163 (E_RNA) where: Base-Base interactions energy: -970.210 where: short stacking energy: -437.732 Base-Backbone interact. energy: -4.410 local terms energy: -483.126017 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -91.077 flat angles C4'-P-C4' energy: -109.194 flat angles P-C4'-P energy: -75.263 tors. eta vs tors. theta energy: -125.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1326.696427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.696427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.696427 (E_RNA) where: Base-Base interactions energy: -877.325 where: short stacking energy: -414.518 Base-Backbone interact. energy: -0.131 local terms energy: -449.239962 where: bonds (distance) C4'-P energy: -83.319 bonds (distance) P-C4' energy: -97.677 flat angles C4'-P-C4' energy: -86.679 flat angles P-C4'-P energy: -71.898 tors. eta vs tors. theta energy: -109.667 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: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1221.947944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.947944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.947944 (E_RNA) where: Base-Base interactions energy: -785.348 where: short stacking energy: -340.908 Base-Backbone interact. energy: -0.708 local terms energy: -435.892535 where: bonds (distance) C4'-P energy: -95.982 bonds (distance) P-C4' energy: -87.568 flat angles C4'-P-C4' energy: -96.558 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -94.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1117.657740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.657740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.657740 (E_RNA) where: Base-Base interactions energy: -712.363 where: short stacking energy: -316.306 Base-Backbone interact. energy: -1.157 local terms energy: -404.137061 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -103.192 flat angles C4'-P-C4' energy: -82.706 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -71.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -969.733887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.733887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.733887 (E_RNA) where: Base-Base interactions energy: -597.625 where: short stacking energy: -282.484 Base-Backbone interact. energy: -3.571 local terms energy: -368.538194 where: bonds (distance) C4'-P energy: -77.223 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -88.954 flat angles P-C4'-P energy: -53.703 tors. eta vs tors. theta energy: -65.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -880.257087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.257087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.257087 (E_RNA) where: Base-Base interactions energy: -521.096 where: short stacking energy: -264.401 Base-Backbone interact. energy: -1.553 local terms energy: -357.607902 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -80.532 flat angles P-C4'-P energy: -40.482 tors. eta vs tors. theta energy: -56.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -669.547808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.547808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.547808 (E_RNA) where: Base-Base interactions energy: -372.962 where: short stacking energy: -191.566 Base-Backbone interact. energy: -0.749 local terms energy: -295.836816 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -95.327 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -19.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -493.814533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.814533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.814533 (E_RNA) where: Base-Base interactions energy: -225.571 where: short stacking energy: -124.445 Base-Backbone interact. energy: -1.860 local terms energy: -266.383639 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -76.498 flat angles C4'-P-C4' energy: -72.057 flat angles P-C4'-P energy: -43.310 tors. eta vs tors. theta energy: 10.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -378.991388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.991388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.991388 (E_RNA) where: Base-Base interactions energy: -121.707 where: short stacking energy: -113.481 Base-Backbone interact. energy: 0.374 local terms energy: -257.658827 where: bonds (distance) C4'-P energy: -70.781 bonds (distance) P-C4' energy: -77.398 flat angles C4'-P-C4' energy: -78.076 flat angles P-C4'-P energy: -34.070 tors. eta vs tors. theta energy: 2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1488.364709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.364709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.364709 (E_RNA) where: Base-Base interactions energy: -973.386 where: short stacking energy: -448.327 Base-Backbone interact. energy: -2.165 local terms energy: -512.814517 where: bonds (distance) C4'-P energy: -95.245 bonds (distance) P-C4' energy: -107.765 flat angles C4'-P-C4' energy: -109.027 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: -127.255 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: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1469.658493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.658493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.658493 (E_RNA) where: Base-Base interactions energy: -957.003 where: short stacking energy: -448.179 Base-Backbone interact. energy: -2.319 local terms energy: -510.336091 where: bonds (distance) C4'-P energy: -90.467 bonds (distance) P-C4' energy: -102.147 flat angles C4'-P-C4' energy: -110.132 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -142.656 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: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1328.595587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.595587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.595587 (E_RNA) where: Base-Base interactions energy: -853.664 where: short stacking energy: -407.671 Base-Backbone interact. energy: -2.283 local terms energy: -472.648551 where: bonds (distance) C4'-P energy: -98.078 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: -126.274 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: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1275.437901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.437901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.437901 (E_RNA) where: Base-Base interactions energy: -846.556 where: short stacking energy: -391.616 Base-Backbone interact. energy: -0.424 local terms energy: -428.457710 where: bonds (distance) C4'-P energy: -80.392 bonds (distance) P-C4' energy: -85.068 flat angles C4'-P-C4' energy: -102.393 flat angles P-C4'-P energy: -54.538 tors. eta vs tors. theta energy: -106.066 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: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1113.552758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.552758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.552758 (E_RNA) where: Base-Base interactions energy: -740.430 where: short stacking energy: -331.292 Base-Backbone interact. energy: 4.583 local terms energy: -377.706654 where: bonds (distance) C4'-P energy: -73.822 bonds (distance) P-C4' energy: -86.136 flat angles C4'-P-C4' energy: -85.833 flat angles P-C4'-P energy: -48.307 tors. eta vs tors. theta energy: -83.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -964.094286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.094286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.094286 (E_RNA) where: Base-Base interactions energy: -583.817 where: short stacking energy: -294.184 Base-Backbone interact. energy: -0.728 local terms energy: -379.549681 where: bonds (distance) C4'-P energy: -92.756 bonds (distance) P-C4' energy: -85.346 flat angles C4'-P-C4' energy: -87.013 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -65.662 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: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -852.996226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.996226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.996226 (E_RNA) where: Base-Base interactions energy: -491.594 where: short stacking energy: -253.153 Base-Backbone interact. energy: -2.628 local terms energy: -358.774093 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -88.751 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -45.371 tors. eta vs tors. theta energy: -59.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -654.685568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.685568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.685568 (E_RNA) where: Base-Base interactions energy: -360.035 where: short stacking energy: -193.969 Base-Backbone interact. energy: -0.980 local terms energy: -293.670194 where: bonds (distance) C4'-P energy: -78.388 bonds (distance) P-C4' energy: -67.748 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -22.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -502.987943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.987943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.987943 (E_RNA) where: Base-Base interactions energy: -225.558 where: short stacking energy: -137.824 Base-Backbone interact. energy: 1.151 local terms energy: -278.581079 where: bonds (distance) C4'-P energy: -79.376 bonds (distance) P-C4' energy: -85.102 flat angles C4'-P-C4' energy: -75.024 flat angles P-C4'-P energy: -34.969 tors. eta vs tors. theta energy: -4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -361.741411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.741411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.741411 (E_RNA) where: Base-Base interactions energy: -105.245 where: short stacking energy: -80.327 Base-Backbone interact. energy: 1.590 local terms energy: -258.087011 where: bonds (distance) C4'-P energy: -72.099 bonds (distance) P-C4' energy: -95.991 flat angles C4'-P-C4' energy: -64.547 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: 26.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1489.466813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.466813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.466813 (E_RNA) where: Base-Base interactions energy: -998.886 where: short stacking energy: -457.059 Base-Backbone interact. energy: -1.471 local terms energy: -489.109398 where: bonds (distance) C4'-P energy: -91.074 bonds (distance) P-C4' energy: -92.584 flat angles C4'-P-C4' energy: -108.638 flat angles P-C4'-P energy: -65.301 tors. eta vs tors. theta energy: -131.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1491.656355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.656355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.656355 (E_RNA) where: Base-Base interactions energy: -982.688 where: short stacking energy: -445.524 Base-Backbone interact. energy: -1.499 local terms energy: -507.469164 where: bonds (distance) C4'-P energy: -100.323 bonds (distance) P-C4' energy: -93.334 flat angles C4'-P-C4' energy: -112.462 flat angles P-C4'-P energy: -64.429 tors. eta vs tors. theta energy: -136.920 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: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1317.811026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.811026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.811026 (E_RNA) where: Base-Base interactions energy: -855.525 where: short stacking energy: -420.635 Base-Backbone interact. energy: -1.355 local terms energy: -460.930748 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -86.646 flat angles C4'-P-C4' energy: -111.968 flat angles P-C4'-P energy: -69.429 tors. eta vs tors. theta energy: -108.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1253.647287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.647287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.647287 (E_RNA) where: Base-Base interactions energy: -817.923 where: short stacking energy: -375.450 Base-Backbone interact. energy: -0.328 local terms energy: -435.396008 where: bonds (distance) C4'-P energy: -74.977 bonds (distance) P-C4' energy: -93.269 flat angles C4'-P-C4' energy: -100.622 flat angles P-C4'-P energy: -63.435 tors. eta vs tors. theta energy: -103.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1124.584218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.584218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.584218 (E_RNA) where: Base-Base interactions energy: -721.290 where: short stacking energy: -336.100 Base-Backbone interact. energy: -3.116 local terms energy: -400.179056 where: bonds (distance) C4'-P energy: -71.992 bonds (distance) P-C4' energy: -82.061 flat angles C4'-P-C4' energy: -95.380 flat angles P-C4'-P energy: -66.429 tors. eta vs tors. theta energy: -84.317 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: 2 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -921.634757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.634757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.634757 (E_RNA) where: Base-Base interactions energy: -571.569 where: short stacking energy: -254.516 Base-Backbone interact. energy: -0.071 local terms energy: -349.994542 where: bonds (distance) C4'-P energy: -86.093 bonds (distance) P-C4' energy: -75.878 flat angles C4'-P-C4' energy: -79.814 flat angles P-C4'-P energy: -57.747 tors. eta vs tors. theta energy: -50.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -867.554998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.554998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.554998 (E_RNA) where: Base-Base interactions energy: -492.285 where: short stacking energy: -260.360 Base-Backbone interact. energy: 0.703 local terms energy: -375.973810 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -77.852 flat angles C4'-P-C4' energy: -87.821 flat angles P-C4'-P energy: -54.936 tors. eta vs tors. theta energy: -65.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -643.602535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.602535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.602535 (E_RNA) where: Base-Base interactions energy: -354.759 where: short stacking energy: -198.499 Base-Backbone interact. energy: -0.739 local terms energy: -288.104595 where: bonds (distance) C4'-P energy: -73.877 bonds (distance) P-C4' energy: -80.846 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -40.487 tors. eta vs tors. theta energy: -7.606 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: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -529.906126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.906126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.906126 (E_RNA) where: Base-Base interactions energy: -254.977 where: short stacking energy: -150.986 Base-Backbone interact. energy: 0.268 local terms energy: -275.197362 where: bonds (distance) C4'-P energy: -76.658 bonds (distance) P-C4' energy: -80.423 flat angles C4'-P-C4' energy: -70.648 flat angles P-C4'-P energy: -44.640 tors. eta vs tors. theta energy: -2.828 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: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -389.121422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.121422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.121422 (E_RNA) where: Base-Base interactions energy: -108.277 where: short stacking energy: -107.498 Base-Backbone interact. energy: -0.125 local terms energy: -280.719846 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -81.632 flat angles C4'-P-C4' energy: -81.247 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: 12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1525.555014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.555014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.555014 (E_RNA) where: Base-Base interactions energy: -1029.963 where: short stacking energy: -448.003 Base-Backbone interact. energy: -3.694 local terms energy: -491.897838 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -99.650 flat angles C4'-P-C4' energy: -100.847 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -125.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1520.128243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.128243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.128243 (E_RNA) where: Base-Base interactions energy: -1012.294 where: short stacking energy: -461.143 Base-Backbone interact. energy: -0.955 local terms energy: -506.879506 where: bonds (distance) C4'-P energy: -99.814 bonds (distance) P-C4' energy: -104.610 flat angles C4'-P-C4' energy: -101.452 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -138.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1311.892287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.892287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.892287 (E_RNA) where: Base-Base interactions energy: -862.413 where: short stacking energy: -407.346 Base-Backbone interact. energy: -0.867 local terms energy: -448.612228 where: bonds (distance) C4'-P energy: -96.380 bonds (distance) P-C4' energy: -90.751 flat angles C4'-P-C4' energy: -91.145 flat angles P-C4'-P energy: -57.875 tors. eta vs tors. theta energy: -112.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1238.959542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.959542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.959542 (E_RNA) where: Base-Base interactions energy: -817.726 where: short stacking energy: -375.731 Base-Backbone interact. energy: -1.282 local terms energy: -419.951415 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -94.496 flat angles C4'-P-C4' energy: -90.857 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: -92.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1140.450706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.450706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.450706 (E_RNA) where: Base-Base interactions energy: -734.663 where: short stacking energy: -317.368 Base-Backbone interact. energy: -3.328 local terms energy: -402.459316 where: bonds (distance) C4'-P energy: -77.542 bonds (distance) P-C4' energy: -97.888 flat angles C4'-P-C4' energy: -93.718 flat angles P-C4'-P energy: -67.700 tors. eta vs tors. theta energy: -65.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -927.722412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.722412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.722412 (E_RNA) where: Base-Base interactions energy: -529.925 where: short stacking energy: -280.313 Base-Backbone interact. energy: 0.103 local terms energy: -397.900804 where: bonds (distance) C4'-P energy: -84.861 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -82.427 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -74.520 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: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -892.845984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.845984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.845984 (E_RNA) where: Base-Base interactions energy: -539.580 where: short stacking energy: -255.835 Base-Backbone interact. energy: 4.621 local terms energy: -357.886929 where: bonds (distance) C4'-P energy: -83.939 bonds (distance) P-C4' energy: -89.694 flat angles C4'-P-C4' energy: -86.709 flat angles P-C4'-P energy: -36.536 tors. eta vs tors. theta energy: -61.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -652.460885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.460885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.460885 (E_RNA) where: Base-Base interactions energy: -368.933 where: short stacking energy: -190.236 Base-Backbone interact. energy: 3.800 local terms energy: -287.327759 where: bonds (distance) C4'-P energy: -68.671 bonds (distance) P-C4' energy: -77.998 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -33.143 tors. eta vs tors. theta energy: -37.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -551.852115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.852115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.852115 (E_RNA) where: Base-Base interactions energy: -245.403 where: short stacking energy: -134.449 Base-Backbone interact. energy: -1.337 local terms energy: -305.112445 where: bonds (distance) C4'-P energy: -76.681 bonds (distance) P-C4' energy: -73.138 flat angles C4'-P-C4' energy: -85.112 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -21.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -379.837032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.837032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.837032 (E_RNA) where: Base-Base interactions energy: -145.285 where: short stacking energy: -94.420 Base-Backbone interact. energy: -0.695 local terms energy: -233.856440 where: bonds (distance) C4'-P energy: -74.734 bonds (distance) P-C4' energy: -67.970 flat angles C4'-P-C4' energy: -60.327 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: 8.901 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: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1570.843290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.843290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.843290 (E_RNA) where: Base-Base interactions energy: -1057.453 where: short stacking energy: -468.064 Base-Backbone interact. energy: -3.181 local terms energy: -510.208501 where: bonds (distance) C4'-P energy: -88.760 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -108.660 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -143.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1503.231109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.231109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.231109 (E_RNA) where: Base-Base interactions energy: -1004.650 where: short stacking energy: -441.325 Base-Backbone interact. energy: -1.585 local terms energy: -496.995741 where: bonds (distance) C4'-P energy: -90.545 bonds (distance) P-C4' energy: -96.968 flat angles C4'-P-C4' energy: -106.031 flat angles P-C4'-P energy: -70.964 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1311.747885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.747885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.747885 (E_RNA) where: Base-Base interactions energy: -859.277 where: short stacking energy: -424.400 Base-Backbone interact. energy: 1.344 local terms energy: -453.814628 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -83.453 flat angles C4'-P-C4' energy: -106.796 flat angles P-C4'-P energy: -64.055 tors. eta vs tors. theta energy: -118.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1242.999652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.999652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.999652 (E_RNA) where: Base-Base interactions energy: -813.650 where: short stacking energy: -365.251 Base-Backbone interact. energy: -3.888 local terms energy: -425.461484 where: bonds (distance) C4'-P energy: -82.814 bonds (distance) P-C4' energy: -93.932 flat angles C4'-P-C4' energy: -94.661 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: -92.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1110.240850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.240850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.240850 (E_RNA) where: Base-Base interactions energy: -704.372 where: short stacking energy: -334.835 Base-Backbone interact. energy: -0.961 local terms energy: -404.907250 where: bonds (distance) C4'-P energy: -85.717 bonds (distance) P-C4' energy: -94.311 flat angles C4'-P-C4' energy: -85.504 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: -81.234 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: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -916.088426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.088426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.088426 (E_RNA) where: Base-Base interactions energy: -530.137 where: short stacking energy: -295.354 Base-Backbone interact. energy: -1.113 local terms energy: -384.838289 where: bonds (distance) C4'-P energy: -79.689 bonds (distance) P-C4' energy: -91.892 flat angles C4'-P-C4' energy: -87.593 flat angles P-C4'-P energy: -63.883 tors. eta vs tors. theta energy: -61.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -884.782120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.782120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.782120 (E_RNA) where: Base-Base interactions energy: -515.502 where: short stacking energy: -228.818 Base-Backbone interact. energy: -2.178 local terms energy: -367.102200 where: bonds (distance) C4'-P energy: -79.203 bonds (distance) P-C4' energy: -87.042 flat angles C4'-P-C4' energy: -96.165 flat angles P-C4'-P energy: -51.257 tors. eta vs tors. theta energy: -53.437 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -652.756897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.756897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.756897 (E_RNA) where: Base-Base interactions energy: -322.696 where: short stacking energy: -181.444 Base-Backbone interact. energy: 0.074 local terms energy: -330.134829 where: bonds (distance) C4'-P energy: -100.280 bonds (distance) P-C4' energy: -79.989 flat angles C4'-P-C4' energy: -89.077 flat angles P-C4'-P energy: -48.743 tors. eta vs tors. theta energy: -12.046 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: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -541.199186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.199186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.199186 (E_RNA) where: Base-Base interactions energy: -277.449 where: short stacking energy: -167.690 Base-Backbone interact. energy: -2.451 local terms energy: -261.299767 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -88.723 flat angles C4'-P-C4' energy: -69.430 flat angles P-C4'-P energy: -40.672 tors. eta vs tors. theta energy: 5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -370.146234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.146234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.146234 (E_RNA) where: Base-Base interactions energy: -131.052 where: short stacking energy: -114.637 Base-Backbone interact. energy: 1.542 local terms energy: -240.636505 where: bonds (distance) C4'-P energy: -72.147 bonds (distance) P-C4' energy: -75.378 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -24.559 tors. eta vs tors. theta energy: 4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1580.003033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.003033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.003033 (E_RNA) where: Base-Base interactions energy: -1052.947 where: short stacking energy: -471.206 Base-Backbone interact. energy: -1.732 local terms energy: -525.324194 where: bonds (distance) C4'-P energy: -93.060 bonds (distance) P-C4' energy: -103.396 flat angles C4'-P-C4' energy: -98.191 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -152.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1504.730494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.730494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.730494 (E_RNA) where: Base-Base interactions energy: -1024.498 where: short stacking energy: -452.111 Base-Backbone interact. energy: -2.789 local terms energy: -477.443925 where: bonds (distance) C4'-P energy: -87.724 bonds (distance) P-C4' energy: -89.432 flat angles C4'-P-C4' energy: -97.384 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -129.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1302.810478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.810478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.810478 (E_RNA) where: Base-Base interactions energy: -847.999 where: short stacking energy: -401.227 Base-Backbone interact. energy: -1.345 local terms energy: -453.466632 where: bonds (distance) C4'-P energy: -80.334 bonds (distance) P-C4' energy: -100.085 flat angles C4'-P-C4' energy: -94.670 flat angles P-C4'-P energy: -66.905 tors. eta vs tors. theta energy: -111.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1224.867717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.867717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.867717 (E_RNA) where: Base-Base interactions energy: -780.939 where: short stacking energy: -382.253 Base-Backbone interact. energy: -1.647 local terms energy: -442.281802 where: bonds (distance) C4'-P energy: -77.188 bonds (distance) P-C4' energy: -100.606 flat angles C4'-P-C4' energy: -107.084 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -99.650 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1170.043096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.043096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.043096 (E_RNA) where: Base-Base interactions energy: -751.166 where: short stacking energy: -359.317 Base-Backbone interact. energy: -2.943 local terms energy: -415.934673 where: bonds (distance) C4'-P energy: -80.013 bonds (distance) P-C4' energy: -90.737 flat angles C4'-P-C4' energy: -84.014 flat angles P-C4'-P energy: -64.869 tors. eta vs tors. theta energy: -96.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -930.637744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.637744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.637744 (E_RNA) where: Base-Base interactions energy: -552.434 where: short stacking energy: -269.855 Base-Backbone interact. energy: 0.838 local terms energy: -379.041884 where: bonds (distance) C4'-P energy: -92.738 bonds (distance) P-C4' energy: -83.310 flat angles C4'-P-C4' energy: -79.701 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -64.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -822.357010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.357010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.357010 (E_RNA) where: Base-Base interactions energy: -473.261 where: short stacking energy: -244.409 Base-Backbone interact. energy: 0.302 local terms energy: -349.397411 where: bonds (distance) C4'-P energy: -88.642 bonds (distance) P-C4' energy: -86.887 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: -48.466 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: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -583.986712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.986712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.986712 (E_RNA) where: Base-Base interactions energy: -294.362 where: short stacking energy: -186.558 Base-Backbone interact. energy: 3.908 local terms energy: -293.532635 where: bonds (distance) C4'-P energy: -90.631 bonds (distance) P-C4' energy: -78.524 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -30.896 tors. eta vs tors. theta energy: -16.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -627.538384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.538384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.538384 (E_RNA) where: Base-Base interactions energy: -328.343 where: short stacking energy: -167.071 Base-Backbone interact. energy: -2.101 local terms energy: -297.094168 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -69.313 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -25.304 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: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -384.862973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.862973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.862973 (E_RNA) where: Base-Base interactions energy: -136.558 where: short stacking energy: -108.392 Base-Backbone interact. energy: 2.200 local terms energy: -250.505190 where: bonds (distance) C4'-P energy: -79.267 bonds (distance) P-C4' energy: -87.221 flat angles C4'-P-C4' energy: -49.814 flat angles P-C4'-P energy: -46.037 tors. eta vs tors. theta energy: 11.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1557.177634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.177634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.177634 (E_RNA) where: Base-Base interactions energy: -1028.760 where: short stacking energy: -476.544 Base-Backbone interact. energy: -1.251 local terms energy: -527.165981 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -98.908 flat angles C4'-P-C4' energy: -107.205 flat angles P-C4'-P energy: -74.795 tors. eta vs tors. theta energy: -154.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1510.346173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.346173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.346173 (E_RNA) where: Base-Base interactions energy: -1000.782 where: short stacking energy: -446.065 Base-Backbone interact. energy: -3.246 local terms energy: -506.318268 where: bonds (distance) C4'-P energy: -92.833 bonds (distance) P-C4' energy: -100.240 flat angles C4'-P-C4' energy: -108.807 flat angles P-C4'-P energy: -68.580 tors. eta vs tors. theta energy: -135.859 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: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1318.887730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.887730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.887730 (E_RNA) where: Base-Base interactions energy: -848.061 where: short stacking energy: -435.792 Base-Backbone interact. energy: -0.825 local terms energy: -470.002218 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -92.543 flat angles C4'-P-C4' energy: -100.782 flat angles P-C4'-P energy: -66.642 tors. eta vs tors. theta energy: -126.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1222.843094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.843094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.843094 (E_RNA) where: Base-Base interactions energy: -789.216 where: short stacking energy: -337.877 Base-Backbone interact. energy: -0.951 local terms energy: -432.675840 where: bonds (distance) C4'-P energy: -78.918 bonds (distance) P-C4' energy: -98.130 flat angles C4'-P-C4' energy: -92.913 flat angles P-C4'-P energy: -66.145 tors. eta vs tors. theta energy: -96.569 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: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1152.137711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.137711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.137711 (E_RNA) where: Base-Base interactions energy: -737.565 where: short stacking energy: -331.699 Base-Backbone interact. energy: 1.809 local terms energy: -416.382421 where: bonds (distance) C4'-P energy: -98.027 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -87.567 flat angles P-C4'-P energy: -56.633 tors. eta vs tors. theta energy: -75.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -973.919212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.919212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.919212 (E_RNA) where: Base-Base interactions energy: -594.046 where: short stacking energy: -311.804 Base-Backbone interact. energy: -0.909 local terms energy: -378.963672 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -87.175 flat angles C4'-P-C4' energy: -76.360 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -63.471 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: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -804.790662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.790662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.790662 (E_RNA) where: Base-Base interactions energy: -453.434 where: short stacking energy: -218.351 Base-Backbone interact. energy: -2.776 local terms energy: -348.580665 where: bonds (distance) C4'-P energy: -85.189 bonds (distance) P-C4' energy: -85.556 flat angles C4'-P-C4' energy: -87.986 flat angles P-C4'-P energy: -47.766 tors. eta vs tors. theta energy: -42.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -596.662864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.662864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.662864 (E_RNA) where: Base-Base interactions energy: -282.972 where: short stacking energy: -180.455 Base-Backbone interact. energy: -1.448 local terms energy: -312.242885 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -79.845 flat angles C4'-P-C4' energy: -76.371 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -18.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -621.565001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.565001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.565001 (E_RNA) where: Base-Base interactions energy: -337.169 where: short stacking energy: -194.432 Base-Backbone interact. energy: 0.691 local terms energy: -285.087586 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -73.501 flat angles C4'-P-C4' energy: -57.271 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -17.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -371.741929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.741929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.741929 (E_RNA) where: Base-Base interactions energy: -120.506 where: short stacking energy: -105.909 Base-Backbone interact. energy: 4.312 local terms energy: -255.548142 where: bonds (distance) C4'-P energy: -77.346 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -64.422 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: 20.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1562.597111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.597111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.597111 (E_RNA) where: Base-Base interactions energy: -1029.069 where: short stacking energy: -454.387 Base-Backbone interact. energy: -2.637 local terms energy: -530.890924 where: bonds (distance) C4'-P energy: -105.247 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -114.641 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -148.501 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: 1 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1453.983147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.983147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.983147 (E_RNA) where: Base-Base interactions energy: -959.181 where: short stacking energy: -435.289 Base-Backbone interact. energy: -0.005 local terms energy: -494.797480 where: bonds (distance) C4'-P energy: -82.960 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -98.831 flat angles P-C4'-P energy: -71.793 tors. eta vs tors. theta energy: -132.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1312.256339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.256339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.256339 (E_RNA) where: Base-Base interactions energy: -844.940 where: short stacking energy: -393.705 Base-Backbone interact. energy: 0.206 local terms energy: -467.521786 where: bonds (distance) C4'-P energy: -106.531 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -97.390 flat angles P-C4'-P energy: -71.562 tors. eta vs tors. theta energy: -95.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1252.897669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.897669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.897669 (E_RNA) where: Base-Base interactions energy: -794.861 where: short stacking energy: -352.753 Base-Backbone interact. energy: -2.365 local terms energy: -455.671309 where: bonds (distance) C4'-P energy: -99.208 bonds (distance) P-C4' energy: -92.353 flat angles C4'-P-C4' energy: -108.685 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -95.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1164.081231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.081231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.081231 (E_RNA) where: Base-Base interactions energy: -745.310 where: short stacking energy: -342.104 Base-Backbone interact. energy: -1.378 local terms energy: -417.393311 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -97.985 flat angles P-C4'-P energy: -68.684 tors. eta vs tors. theta energy: -94.222 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: 245 Temperature: 1.150000 Total energy: -939.829441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.829441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.829441 (E_RNA) where: Base-Base interactions energy: -551.572 where: short stacking energy: -282.849 Base-Backbone interact. energy: -0.565 local terms energy: -387.693012 where: bonds (distance) C4'-P energy: -79.945 bonds (distance) P-C4' energy: -81.545 flat angles C4'-P-C4' energy: -89.000 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: -68.546 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: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -859.963270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.963270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.963270 (E_RNA) where: Base-Base interactions energy: -511.719 where: short stacking energy: -257.317 Base-Backbone interact. energy: 0.327 local terms energy: -348.571387 where: bonds (distance) C4'-P energy: -90.722 bonds (distance) P-C4' energy: -85.245 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -47.332 tors. eta vs tors. theta energy: -51.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -657.941256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.941256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.941256 (E_RNA) where: Base-Base interactions energy: -328.235 where: short stacking energy: -200.689 Base-Backbone interact. energy: 0.540 local terms energy: -330.246783 where: bonds (distance) C4'-P energy: -79.629 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -91.687 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -38.492 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: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -497.269148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.269148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.269148 (E_RNA) where: Base-Base interactions energy: -227.345 where: short stacking energy: -152.165 Base-Backbone interact. energy: 3.424 local terms energy: -273.347984 where: bonds (distance) C4'-P energy: -68.226 bonds (distance) P-C4' energy: -83.757 flat angles C4'-P-C4' energy: -68.565 flat angles P-C4'-P energy: -45.351 tors. eta vs tors. theta energy: -7.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -369.122735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.122735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.122735 (E_RNA) where: Base-Base interactions energy: -136.005 where: short stacking energy: -107.114 Base-Backbone interact. energy: -0.350 local terms energy: -232.767637 where: bonds (distance) C4'-P energy: -69.524 bonds (distance) P-C4' energy: -72.905 flat angles C4'-P-C4' energy: -69.524 flat angles P-C4'-P energy: -31.631 tors. eta vs tors. theta energy: 10.816 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: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1543.902064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.902064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.902064 (E_RNA) where: Base-Base interactions energy: -1037.237 where: short stacking energy: -480.704 Base-Backbone interact. energy: -1.537 local terms energy: -505.127989 where: bonds (distance) C4'-P energy: -83.086 bonds (distance) P-C4' energy: -93.872 flat angles C4'-P-C4' energy: -111.038 flat angles P-C4'-P energy: -70.985 tors. eta vs tors. theta energy: -146.147 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: 2, replica: 1 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1464.676041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.676041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.676041 (E_RNA) where: Base-Base interactions energy: -958.434 where: short stacking energy: -424.674 Base-Backbone interact. energy: -0.516 local terms energy: -505.726646 where: bonds (distance) C4'-P energy: -101.937 bonds (distance) P-C4' energy: -101.194 flat angles C4'-P-C4' energy: -108.370 flat angles P-C4'-P energy: -68.267 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: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1318.252195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.252195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.252195 (E_RNA) where: Base-Base interactions energy: -862.821 where: short stacking energy: -401.843 Base-Backbone interact. energy: -1.340 local terms energy: -454.090789 where: bonds (distance) C4'-P energy: -88.223 bonds (distance) P-C4' energy: -89.640 flat angles C4'-P-C4' energy: -100.633 flat angles P-C4'-P energy: -71.413 tors. eta vs tors. theta energy: -104.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1245.604901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.604901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.604901 (E_RNA) where: Base-Base interactions energy: -814.092 where: short stacking energy: -370.964 Base-Backbone interact. energy: -1.301 local terms energy: -430.211465 where: bonds (distance) C4'-P energy: -73.337 bonds (distance) P-C4' energy: -90.722 flat angles C4'-P-C4' energy: -104.185 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -99.655 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1127.949638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.949638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.949638 (E_RNA) where: Base-Base interactions energy: -727.956 where: short stacking energy: -319.570 Base-Backbone interact. energy: -3.108 local terms energy: -396.885754 where: bonds (distance) C4'-P energy: -78.537 bonds (distance) P-C4' energy: -86.204 flat angles C4'-P-C4' energy: -96.336 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -78.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -927.600148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.600148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.600148 (E_RNA) where: Base-Base interactions energy: -574.017 where: short stacking energy: -278.921 Base-Backbone interact. energy: -1.541 local terms energy: -352.041389 where: bonds (distance) C4'-P energy: -83.731 bonds (distance) P-C4' energy: -79.009 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -62.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -898.400792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.400792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.400792 (E_RNA) where: Base-Base interactions energy: -560.190 where: short stacking energy: -266.455 Base-Backbone interact. energy: -1.874 local terms energy: -336.336964 where: bonds (distance) C4'-P energy: -73.130 bonds (distance) P-C4' energy: -89.802 flat angles C4'-P-C4' energy: -77.820 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -46.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -608.420580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.420580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.420580 (E_RNA) where: Base-Base interactions energy: -292.694 where: short stacking energy: -171.942 Base-Backbone interact. energy: -0.689 local terms energy: -315.036959 where: bonds (distance) C4'-P energy: -79.160 bonds (distance) P-C4' energy: -94.890 flat angles C4'-P-C4' energy: -82.702 flat angles P-C4'-P energy: -33.027 tors. eta vs tors. theta energy: -25.258 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: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -518.319060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.319060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.319060 (E_RNA) where: Base-Base interactions energy: -261.697 where: short stacking energy: -153.628 Base-Backbone interact. energy: 4.248 local terms energy: -260.869894 where: bonds (distance) C4'-P energy: -72.096 bonds (distance) P-C4' energy: -77.694 flat angles C4'-P-C4' energy: -74.296 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: 6.114 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: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -388.081634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.081634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.081634 (E_RNA) where: Base-Base interactions energy: -131.427 where: short stacking energy: -121.012 Base-Backbone interact. energy: -1.824 local terms energy: -254.831355 where: bonds (distance) C4'-P energy: -84.948 bonds (distance) P-C4' energy: -74.462 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: 21.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1503.135719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.135719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.135719 (E_RNA) where: Base-Base interactions energy: -995.900 where: short stacking energy: -444.529 Base-Backbone interact. energy: 0.512 local terms energy: -507.747240 where: bonds (distance) C4'-P energy: -91.628 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -136.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1462.695307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.695307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.695307 (E_RNA) where: Base-Base interactions energy: -983.002 where: short stacking energy: -438.847 Base-Backbone interact. energy: -1.210 local terms energy: -478.484041 where: bonds (distance) C4'-P energy: -86.534 bonds (distance) P-C4' energy: -94.023 flat angles C4'-P-C4' energy: -100.225 flat angles P-C4'-P energy: -65.221 tors. eta vs tors. theta energy: -132.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1297.389185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.389185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.389185 (E_RNA) where: Base-Base interactions energy: -842.652 where: short stacking energy: -377.588 Base-Backbone interact. energy: -0.702 local terms energy: -454.035595 where: bonds (distance) C4'-P energy: -94.034 bonds (distance) P-C4' energy: -94.372 flat angles C4'-P-C4' energy: -100.657 flat angles P-C4'-P energy: -63.128 tors. eta vs tors. theta energy: -101.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1240.813467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.813467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.813467 (E_RNA) where: Base-Base interactions energy: -809.329 where: short stacking energy: -357.962 Base-Backbone interact. energy: -1.108 local terms energy: -430.376645 where: bonds (distance) C4'-P energy: -90.547 bonds (distance) P-C4' energy: -79.460 flat angles C4'-P-C4' energy: -102.588 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -104.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1125.433551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.433551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.433551 (E_RNA) where: Base-Base interactions energy: -709.854 where: short stacking energy: -317.886 Base-Backbone interact. energy: -1.534 local terms energy: -414.045874 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -78.354 flat angles C4'-P-C4' energy: -101.322 flat angles P-C4'-P energy: -63.093 tors. eta vs tors. theta energy: -74.301 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: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -972.730908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.730908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.730908 (E_RNA) where: Base-Base interactions energy: -599.523 where: short stacking energy: -308.059 Base-Backbone interact. energy: -0.675 local terms energy: -372.532727 where: bonds (distance) C4'-P energy: -77.596 bonds (distance) P-C4' energy: -83.269 flat angles C4'-P-C4' energy: -85.365 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: -76.606 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: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -844.228999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.228999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.228999 (E_RNA) where: Base-Base interactions energy: -504.278 where: short stacking energy: -248.643 Base-Backbone interact. energy: 1.118 local terms energy: -341.069147 where: bonds (distance) C4'-P energy: -85.466 bonds (distance) P-C4' energy: -85.026 flat angles C4'-P-C4' energy: -90.250 flat angles P-C4'-P energy: -38.631 tors. eta vs tors. theta energy: -41.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -675.038363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.038363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.038363 (E_RNA) where: Base-Base interactions energy: -380.168 where: short stacking energy: -191.434 Base-Backbone interact. energy: 1.106 local terms energy: -295.975990 where: bonds (distance) C4'-P energy: -76.185 bonds (distance) P-C4' energy: -73.916 flat angles C4'-P-C4' energy: -97.336 flat angles P-C4'-P energy: -35.033 tors. eta vs tors. theta energy: -13.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -518.327883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.327883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.327883 (E_RNA) where: Base-Base interactions energy: -226.176 where: short stacking energy: -134.525 Base-Backbone interact. energy: -3.678 local terms energy: -288.474409 where: bonds (distance) C4'-P energy: -77.327 bonds (distance) P-C4' energy: -83.500 flat angles C4'-P-C4' energy: -79.515 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -360.503308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.503308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.503308 (E_RNA) where: Base-Base interactions energy: -130.394 where: short stacking energy: -111.205 Base-Backbone interact. energy: 3.910 local terms energy: -234.019015 where: bonds (distance) C4'-P energy: -70.012 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -30.504 tors. eta vs tors. theta energy: 8.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1535.641461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.641461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.641461 (E_RNA) where: Base-Base interactions energy: -1040.939 where: short stacking energy: -472.709 Base-Backbone interact. energy: -4.667 local terms energy: -490.035705 where: bonds (distance) C4'-P energy: -89.713 bonds (distance) P-C4' energy: -101.035 flat angles C4'-P-C4' energy: -105.869 flat angles P-C4'-P energy: -52.251 tors. eta vs tors. theta energy: -141.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1460.018579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.018579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.018579 (E_RNA) where: Base-Base interactions energy: -990.158 where: short stacking energy: -445.896 Base-Backbone interact. energy: -1.407 local terms energy: -468.453617 where: bonds (distance) C4'-P energy: -81.854 bonds (distance) P-C4' energy: -94.742 flat angles C4'-P-C4' energy: -108.513 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -121.090 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: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1309.786043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.786043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.786043 (E_RNA) where: Base-Base interactions energy: -881.448 where: short stacking energy: -395.441 Base-Backbone interact. energy: -0.270 local terms energy: -428.068068 where: bonds (distance) C4'-P energy: -74.962 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -103.681 flat angles P-C4'-P energy: -63.758 tors. eta vs tors. theta energy: -105.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1205.821259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.821259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.821259 (E_RNA) where: Base-Base interactions energy: -781.652 where: short stacking energy: -355.815 Base-Backbone interact. energy: -0.113 local terms energy: -424.056513 where: bonds (distance) C4'-P energy: -87.860 bonds (distance) P-C4' energy: -92.717 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -52.232 tors. eta vs tors. theta energy: -90.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1116.629720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.629720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.629720 (E_RNA) where: Base-Base interactions energy: -734.030 where: short stacking energy: -314.872 Base-Backbone interact. energy: 4.792 local terms energy: -387.390873 where: bonds (distance) C4'-P energy: -86.158 bonds (distance) P-C4' energy: -72.614 flat angles C4'-P-C4' energy: -94.015 flat angles P-C4'-P energy: -59.139 tors. eta vs tors. theta energy: -75.465 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: 248 Temperature: 1.150000 Total energy: -972.727721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.727721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.727721 (E_RNA) where: Base-Base interactions energy: -584.128 where: short stacking energy: -271.905 Base-Backbone interact. energy: -2.941 local terms energy: -385.658942 where: bonds (distance) C4'-P energy: -79.393 bonds (distance) P-C4' energy: -101.021 flat angles C4'-P-C4' energy: -87.949 flat angles P-C4'-P energy: -52.838 tors. eta vs tors. theta energy: -64.458 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: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -822.359003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.359003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.359003 (E_RNA) where: Base-Base interactions energy: -490.916 where: short stacking energy: -234.987 Base-Backbone interact. energy: -1.861 local terms energy: -329.582529 where: bonds (distance) C4'-P energy: -71.917 bonds (distance) P-C4' energy: -84.747 flat angles C4'-P-C4' energy: -79.674 flat angles P-C4'-P energy: -49.223 tors. eta vs tors. theta energy: -44.021 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: 248 Temperature: 1.250000 Total energy: -656.563326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.563326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.563326 (E_RNA) where: Base-Base interactions energy: -346.169 where: short stacking energy: -185.281 Base-Backbone interact. energy: -3.166 local terms energy: -307.228020 where: bonds (distance) C4'-P energy: -68.085 bonds (distance) P-C4' energy: -93.305 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -45.651 tors. eta vs tors. theta energy: -28.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -491.819527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.819527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.819527 (E_RNA) where: Base-Base interactions energy: -228.781 where: short stacking energy: -134.936 Base-Backbone interact. energy: 0.378 local terms energy: -263.416997 where: bonds (distance) C4'-P energy: -76.085 bonds (distance) P-C4' energy: -88.806 flat angles C4'-P-C4' energy: -74.278 flat angles P-C4'-P energy: -40.475 tors. eta vs tors. theta energy: 16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -372.522158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.522158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.522158 (E_RNA) where: Base-Base interactions energy: -124.444 where: short stacking energy: -114.270 Base-Backbone interact. energy: -1.631 local terms energy: -246.446911 where: bonds (distance) C4'-P energy: -89.952 bonds (distance) P-C4' energy: -79.780 flat angles C4'-P-C4' energy: -41.502 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: 6.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1533.039090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.039090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.039090 (E_RNA) where: Base-Base interactions energy: -1025.553 where: short stacking energy: -443.643 Base-Backbone interact. energy: -3.655 local terms energy: -503.831282 where: bonds (distance) C4'-P energy: -99.694 bonds (distance) P-C4' energy: -91.327 flat angles C4'-P-C4' energy: -103.934 flat angles P-C4'-P energy: -69.953 tors. eta vs tors. theta energy: -138.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1438.412793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.412793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.412793 (E_RNA) where: Base-Base interactions energy: -966.779 where: short stacking energy: -435.500 Base-Backbone interact. energy: -3.322 local terms energy: -468.312027 where: bonds (distance) C4'-P energy: -91.899 bonds (distance) P-C4' energy: -84.388 flat angles C4'-P-C4' energy: -99.718 flat angles P-C4'-P energy: -70.711 tors. eta vs tors. theta energy: -121.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1344.934193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.934193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.934193 (E_RNA) where: Base-Base interactions energy: -884.804 where: short stacking energy: -410.419 Base-Backbone interact. energy: -1.869 local terms energy: -458.260978 where: bonds (distance) C4'-P energy: -86.063 bonds (distance) P-C4' energy: -92.766 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -109.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1277.036571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.036571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.036571 (E_RNA) where: Base-Base interactions energy: -844.472 where: short stacking energy: -391.699 Base-Backbone interact. energy: -0.532 local terms energy: -432.032369 where: bonds (distance) C4'-P energy: -97.678 bonds (distance) P-C4' energy: -84.629 flat angles C4'-P-C4' energy: -92.060 flat angles P-C4'-P energy: -53.041 tors. eta vs tors. theta energy: -104.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1095.084073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.084073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.084073 (E_RNA) where: Base-Base interactions energy: -707.508 where: short stacking energy: -307.244 Base-Backbone interact. energy: 2.719 local terms energy: -390.295876 where: bonds (distance) C4'-P energy: -81.996 bonds (distance) P-C4' energy: -92.969 flat angles C4'-P-C4' energy: -95.721 flat angles P-C4'-P energy: -57.369 tors. eta vs tors. theta energy: -62.241 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: 249 Temperature: 1.150000 Total energy: -964.573232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.573232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.573232 (E_RNA) where: Base-Base interactions energy: -590.904 where: short stacking energy: -292.063 Base-Backbone interact. energy: -0.054 local terms energy: -373.614805 where: bonds (distance) C4'-P energy: -91.209 bonds (distance) P-C4' energy: -76.743 flat angles C4'-P-C4' energy: -77.542 flat angles P-C4'-P energy: -52.416 tors. eta vs tors. theta energy: -75.704 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: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -824.657987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.657987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.657987 (E_RNA) where: Base-Base interactions energy: -465.176 where: short stacking energy: -241.834 Base-Backbone interact. energy: -1.905 local terms energy: -357.576282 where: bonds (distance) C4'-P energy: -83.748 bonds (distance) P-C4' energy: -79.709 flat angles C4'-P-C4' energy: -88.880 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: -50.120 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: 249 Temperature: 1.250000 Total energy: -628.752503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.752503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.752503 (E_RNA) where: Base-Base interactions energy: -328.981 where: short stacking energy: -178.519 Base-Backbone interact. energy: 1.263 local terms energy: -301.034012 where: bonds (distance) C4'-P energy: -80.151 bonds (distance) P-C4' energy: -98.349 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -9.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -527.694546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.694546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.694546 (E_RNA) where: Base-Base interactions energy: -276.298 where: short stacking energy: -183.757 Base-Backbone interact. energy: 0.251 local terms energy: -251.647735 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -68.488 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -52.046 tors. eta vs tors. theta energy: -1.213 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: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -377.342958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.342958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.342958 (E_RNA) where: Base-Base interactions energy: -150.304 where: short stacking energy: -116.427 Base-Backbone interact. energy: 6.392 local terms energy: -233.431334 where: bonds (distance) C4'-P energy: -70.039 bonds (distance) P-C4' energy: -76.142 flat angles C4'-P-C4' energy: -63.668 flat angles P-C4'-P energy: -47.344 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: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1551.515730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.515730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.515730 (E_RNA) where: Base-Base interactions energy: -1027.213 where: short stacking energy: -466.792 Base-Backbone interact. energy: -2.906 local terms energy: -521.397303 where: bonds (distance) C4'-P energy: -93.649 bonds (distance) P-C4' energy: -98.215 flat angles C4'-P-C4' energy: -110.499 flat angles P-C4'-P energy: -70.992 tors. eta vs tors. theta energy: -148.042 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: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1455.245234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.245234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.245234 (E_RNA) where: Base-Base interactions energy: -979.351 where: short stacking energy: -437.843 Base-Backbone interact. energy: -0.025 local terms energy: -475.869511 where: bonds (distance) C4'-P energy: -87.598 bonds (distance) P-C4' energy: -91.240 flat angles C4'-P-C4' energy: -109.786 flat angles P-C4'-P energy: -69.767 tors. eta vs tors. theta energy: -117.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1351.937382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.937382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.937382 (E_RNA) where: Base-Base interactions energy: -864.266 where: short stacking energy: -412.840 Base-Backbone interact. energy: -1.480 local terms energy: -486.192095 where: bonds (distance) C4'-P energy: -100.742 bonds (distance) P-C4' energy: -85.688 flat angles C4'-P-C4' energy: -105.902 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -113.520 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: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1250.999038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.999038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.999038 (E_RNA) where: Base-Base interactions energy: -806.262 where: short stacking energy: -359.239 Base-Backbone interact. energy: 0.934 local terms energy: -445.670656 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -91.733 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -116.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1180.750546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.750546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.750546 (E_RNA) where: Base-Base interactions energy: -757.560 where: short stacking energy: -361.562 Base-Backbone interact. energy: -2.942 local terms energy: -420.248327 where: bonds (distance) C4'-P energy: -78.894 bonds (distance) P-C4' energy: -84.152 flat angles C4'-P-C4' energy: -97.845 flat angles P-C4'-P energy: -58.934 tors. eta vs tors. theta energy: -100.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1010.107564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.107564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.107564 (E_RNA) where: Base-Base interactions energy: -625.011 where: short stacking energy: -300.728 Base-Backbone interact. energy: 0.977 local terms energy: -386.073185 where: bonds (distance) C4'-P energy: -78.717 bonds (distance) P-C4' energy: -86.550 flat angles C4'-P-C4' energy: -87.949 flat angles P-C4'-P energy: -58.528 tors. eta vs tors. theta energy: -74.329 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: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -811.941536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.941536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.941536 (E_RNA) where: Base-Base interactions energy: -443.798 where: short stacking energy: -227.146 Base-Backbone interact. energy: -1.112 local terms energy: -367.031607 where: bonds (distance) C4'-P energy: -82.919 bonds (distance) P-C4' energy: -83.012 flat angles C4'-P-C4' energy: -96.519 flat angles P-C4'-P energy: -51.080 tors. eta vs tors. theta energy: -53.501 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: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -669.086954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.086954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.086954 (E_RNA) where: Base-Base interactions energy: -373.146 where: short stacking energy: -219.488 Base-Backbone interact. energy: -1.354 local terms energy: -294.587418 where: bonds (distance) C4'-P energy: -73.573 bonds (distance) P-C4' energy: -64.194 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -35.274 tors. eta vs tors. theta energy: -36.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -523.927509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.927509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.927509 (E_RNA) where: Base-Base interactions energy: -265.727 where: short stacking energy: -144.403 Base-Backbone interact. energy: 4.523 local terms energy: -262.724226 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -91.549 flat angles C4'-P-C4' energy: -67.157 flat angles P-C4'-P energy: -36.948 tors. eta vs tors. theta energy: 4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -376.259592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.259592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.259592 (E_RNA) where: Base-Base interactions energy: -117.710 where: short stacking energy: -99.070 Base-Backbone interact. energy: 2.131 local terms energy: -260.681100 where: bonds (distance) C4'-P energy: -98.335 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -66.189 flat angles P-C4'-P energy: -37.290 tors. eta vs tors. theta energy: 22.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1577.878033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.878033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.878033 (E_RNA) where: Base-Base interactions energy: -1065.324 where: short stacking energy: -480.565 Base-Backbone interact. energy: 5.044 local terms energy: -517.597643 where: bonds (distance) C4'-P energy: -91.973 bonds (distance) P-C4' energy: -97.389 flat angles C4'-P-C4' energy: -117.682 flat angles P-C4'-P energy: -68.646 tors. eta vs tors. theta energy: -141.908 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: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1468.583488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.583488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.583488 (E_RNA) where: Base-Base interactions energy: -993.805 where: short stacking energy: -437.494 Base-Backbone interact. energy: -1.258 local terms energy: -473.520379 where: bonds (distance) C4'-P energy: -95.116 bonds (distance) P-C4' energy: -82.304 flat angles C4'-P-C4' energy: -107.865 flat angles P-C4'-P energy: -73.442 tors. eta vs tors. theta energy: -114.793 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: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1337.340341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.340341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.340341 (E_RNA) where: Base-Base interactions energy: -867.047 where: short stacking energy: -423.362 Base-Backbone interact. energy: -2.887 local terms energy: -467.406341 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -93.815 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -76.835 tors. eta vs tors. theta energy: -116.843 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: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1230.917431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.917431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.917431 (E_RNA) where: Base-Base interactions energy: -797.291 where: short stacking energy: -384.894 Base-Backbone interact. energy: -3.053 local terms energy: -430.573255 where: bonds (distance) C4'-P energy: -69.424 bonds (distance) P-C4' energy: -92.462 flat angles C4'-P-C4' energy: -94.878 flat angles P-C4'-P energy: -73.367 tors. eta vs tors. theta energy: -100.442 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: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1212.495866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.495866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.495866 (E_RNA) where: Base-Base interactions energy: -809.835 where: short stacking energy: -391.894 Base-Backbone interact. energy: -1.658 local terms energy: -401.002522 where: bonds (distance) C4'-P energy: -88.589 bonds (distance) P-C4' energy: -57.336 flat angles C4'-P-C4' energy: -96.666 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -105.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -974.844359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.844359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.844359 (E_RNA) where: Base-Base interactions energy: -577.927 where: short stacking energy: -276.171 Base-Backbone interact. energy: -1.086 local terms energy: -395.831948 where: bonds (distance) C4'-P energy: -89.054 bonds (distance) P-C4' energy: -80.241 flat angles C4'-P-C4' energy: -79.250 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -78.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -857.936220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.936220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.936220 (E_RNA) where: Base-Base interactions energy: -505.297 where: short stacking energy: -259.238 Base-Backbone interact. energy: -2.439 local terms energy: -350.200154 where: bonds (distance) C4'-P energy: -64.481 bonds (distance) P-C4' energy: -98.444 flat angles C4'-P-C4' energy: -84.612 flat angles P-C4'-P energy: -54.192 tors. eta vs tors. theta energy: -48.472 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: 251 Temperature: 1.250000 Total energy: -667.319274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.319274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.319274 (E_RNA) where: Base-Base interactions energy: -349.687 where: short stacking energy: -171.090 Base-Backbone interact. energy: 0.783 local terms energy: -318.415315 where: bonds (distance) C4'-P energy: -85.687 bonds (distance) P-C4' energy: -84.878 flat angles C4'-P-C4' energy: -85.025 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -544.935771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.935771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.935771 (E_RNA) where: Base-Base interactions energy: -267.017 where: short stacking energy: -159.322 Base-Backbone interact. energy: -2.139 local terms energy: -275.779858 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -85.075 flat angles C4'-P-C4' energy: -74.933 flat angles P-C4'-P energy: -42.600 tors. eta vs tors. theta energy: -15.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -422.558911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.558911 (E_RNA) where: Base-Base interactions energy: -181.700 where: short stacking energy: -137.238 Base-Backbone interact. energy: -0.774 local terms energy: -240.084986 where: bonds (distance) C4'-P energy: -55.435 bonds (distance) P-C4' energy: -80.599 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -43.149 tors. eta vs tors. theta energy: 2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1543.390499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.390499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.390499 (E_RNA) where: Base-Base interactions energy: -1048.652 where: short stacking energy: -472.423 Base-Backbone interact. energy: 7.271 local terms energy: -502.010126 where: bonds (distance) C4'-P energy: -94.870 bonds (distance) P-C4' energy: -98.994 flat angles C4'-P-C4' energy: -101.206 flat angles P-C4'-P energy: -68.428 tors. eta vs tors. theta energy: -138.511 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: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1459.453862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.453862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.453862 (E_RNA) where: Base-Base interactions energy: -959.641 where: short stacking energy: -415.404 Base-Backbone interact. energy: -2.883 local terms energy: -496.929860 where: bonds (distance) C4'-P energy: -93.636 bonds (distance) P-C4' energy: -93.267 flat angles C4'-P-C4' energy: -111.088 flat angles P-C4'-P energy: -70.471 tors. eta vs tors. theta energy: -128.468 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: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1330.744341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.744341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.744341 (E_RNA) where: Base-Base interactions energy: -877.821 where: short stacking energy: -414.218 Base-Backbone interact. energy: -1.151 local terms energy: -451.771643 where: bonds (distance) C4'-P energy: -76.291 bonds (distance) P-C4' energy: -90.980 flat angles C4'-P-C4' energy: -100.184 flat angles P-C4'-P energy: -66.930 tors. eta vs tors. theta energy: -117.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1303.451876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.451876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.451876 (E_RNA) where: Base-Base interactions energy: -841.256 where: short stacking energy: -402.865 Base-Backbone interact. energy: -1.357 local terms energy: -460.838643 where: bonds (distance) C4'-P energy: -89.584 bonds (distance) P-C4' energy: -98.632 flat angles C4'-P-C4' energy: -107.295 flat angles P-C4'-P energy: -53.457 tors. eta vs tors. theta energy: -111.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1209.973588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.973588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.973588 (E_RNA) where: Base-Base interactions energy: -774.959 where: short stacking energy: -360.732 Base-Backbone interact. energy: -0.941 local terms energy: -434.074247 where: bonds (distance) C4'-P energy: -88.672 bonds (distance) P-C4' energy: -77.268 flat angles C4'-P-C4' energy: -97.784 flat angles P-C4'-P energy: -63.219 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: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -992.083703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.083703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.083703 (E_RNA) where: Base-Base interactions energy: -607.589 where: short stacking energy: -296.366 Base-Backbone interact. energy: 0.228 local terms energy: -384.722606 where: bonds (distance) C4'-P energy: -71.331 bonds (distance) P-C4' energy: -89.138 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: -80.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -839.831606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.831606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.831606 (E_RNA) where: Base-Base interactions energy: -498.588 where: short stacking energy: -234.214 Base-Backbone interact. energy: -1.262 local terms energy: -339.981793 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -86.143 flat angles C4'-P-C4' energy: -85.145 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -28.546 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: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -681.604383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.604383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.604383 (E_RNA) where: Base-Base interactions energy: -337.447 where: short stacking energy: -182.808 Base-Backbone interact. energy: -1.001 local terms energy: -343.156312 where: bonds (distance) C4'-P energy: -88.290 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -99.442 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -30.869 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: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -543.254402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.254402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.254402 (E_RNA) where: Base-Base interactions energy: -273.820 where: short stacking energy: -156.622 Base-Backbone interact. energy: -2.656 local terms energy: -266.778309 where: bonds (distance) C4'-P energy: -74.428 bonds (distance) P-C4' energy: -76.388 flat angles C4'-P-C4' energy: -76.175 flat angles P-C4'-P energy: -38.826 tors. eta vs tors. theta energy: -0.962 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: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -425.830886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.830886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.830886 (E_RNA) where: Base-Base interactions energy: -191.101 where: short stacking energy: -136.860 Base-Backbone interact. energy: 4.635 local terms energy: -239.364713 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -90.152 flat angles C4'-P-C4' energy: -73.995 flat angles P-C4'-P energy: -21.268 tors. eta vs tors. theta energy: 13.099 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: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1543.227139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.227139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.227139 (E_RNA) where: Base-Base interactions energy: -1031.519 where: short stacking energy: -473.848 Base-Backbone interact. energy: -1.059 local terms energy: -510.648313 where: bonds (distance) C4'-P energy: -90.170 bonds (distance) P-C4' energy: -101.882 flat angles C4'-P-C4' energy: -98.125 flat angles P-C4'-P energy: -74.594 tors. eta vs tors. theta energy: -145.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1467.191797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.191797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.191797 (E_RNA) where: Base-Base interactions energy: -979.892 where: short stacking energy: -433.655 Base-Backbone interact. energy: -2.549 local terms energy: -484.750560 where: bonds (distance) C4'-P energy: -95.041 bonds (distance) P-C4' energy: -92.916 flat angles C4'-P-C4' energy: -96.808 flat angles P-C4'-P energy: -64.627 tors. eta vs tors. theta energy: -135.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1331.441498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.441498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.441498 (E_RNA) where: Base-Base interactions energy: -863.549 where: short stacking energy: -424.811 Base-Backbone interact. energy: -0.698 local terms energy: -467.195015 where: bonds (distance) C4'-P energy: -90.780 bonds (distance) P-C4' energy: -92.971 flat angles C4'-P-C4' energy: -96.782 flat angles P-C4'-P energy: -66.820 tors. eta vs tors. theta energy: -119.842 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: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1248.119338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.119338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.119338 (E_RNA) where: Base-Base interactions energy: -806.439 where: short stacking energy: -367.884 Base-Backbone interact. energy: -4.126 local terms energy: -437.554462 where: bonds (distance) C4'-P energy: -83.666 bonds (distance) P-C4' energy: -79.233 flat angles C4'-P-C4' energy: -101.117 flat angles P-C4'-P energy: -71.079 tors. eta vs tors. theta energy: -102.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1229.737340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.737340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.737340 (E_RNA) where: Base-Base interactions energy: -798.076 where: short stacking energy: -365.052 Base-Backbone interact. energy: -1.722 local terms energy: -429.939184 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -83.519 flat angles C4'-P-C4' energy: -97.072 flat angles P-C4'-P energy: -68.325 tors. eta vs tors. theta energy: -97.640 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: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1047.719838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.719838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.719838 (E_RNA) where: Base-Base interactions energy: -633.435 where: short stacking energy: -302.421 Base-Backbone interact. energy: -0.021 local terms energy: -414.263233 where: bonds (distance) C4'-P energy: -90.485 bonds (distance) P-C4' energy: -82.970 flat angles C4'-P-C4' energy: -102.548 flat angles P-C4'-P energy: -51.845 tors. eta vs tors. theta energy: -86.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -824.067948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.067948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.067948 (E_RNA) where: Base-Base interactions energy: -484.648 where: short stacking energy: -252.651 Base-Backbone interact. energy: 0.377 local terms energy: -339.797525 where: bonds (distance) C4'-P energy: -72.405 bonds (distance) P-C4' energy: -88.392 flat angles C4'-P-C4' energy: -68.087 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -51.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -691.031807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.031807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.031807 (E_RNA) where: Base-Base interactions energy: -378.724 where: short stacking energy: -178.987 Base-Backbone interact. energy: 5.755 local terms energy: -318.062630 where: bonds (distance) C4'-P energy: -86.237 bonds (distance) P-C4' energy: -83.226 flat angles C4'-P-C4' energy: -88.340 flat angles P-C4'-P energy: -45.303 tors. eta vs tors. theta energy: -14.957 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: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -534.993804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.993804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.993804 (E_RNA) where: Base-Base interactions energy: -263.553 where: short stacking energy: -150.209 Base-Backbone interact. energy: -1.762 local terms energy: -269.678663 where: bonds (distance) C4'-P energy: -81.718 bonds (distance) P-C4' energy: -91.437 flat angles C4'-P-C4' energy: -71.071 flat angles P-C4'-P energy: -35.017 tors. eta vs tors. theta energy: 9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -360.462168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.462168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.462168 (E_RNA) where: Base-Base interactions energy: -110.177 where: short stacking energy: -102.285 Base-Backbone interact. energy: 5.512 local terms energy: -255.797180 where: bonds (distance) C4'-P energy: -76.595 bonds (distance) P-C4' energy: -90.882 flat angles C4'-P-C4' energy: -59.220 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: 11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1539.747253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.747253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.747253 (E_RNA) where: Base-Base interactions energy: -1014.902 where: short stacking energy: -465.700 Base-Backbone interact. energy: -3.891 local terms energy: -520.954062 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -103.383 flat angles C4'-P-C4' energy: -105.465 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -141.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1482.708839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.708839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.708839 (E_RNA) where: Base-Base interactions energy: -1007.072 where: short stacking energy: -451.132 Base-Backbone interact. energy: 0.298 local terms energy: -475.934700 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -101.651 flat angles C4'-P-C4' energy: -105.793 flat angles P-C4'-P energy: -56.522 tors. eta vs tors. theta energy: -123.491 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: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1279.729217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.729217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.729217 (E_RNA) where: Base-Base interactions energy: -829.382 where: short stacking energy: -384.885 Base-Backbone interact. energy: -2.369 local terms energy: -447.977851 where: bonds (distance) C4'-P energy: -87.617 bonds (distance) P-C4' energy: -89.132 flat angles C4'-P-C4' energy: -101.215 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -108.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1283.446521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.446521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.446521 (E_RNA) where: Base-Base interactions energy: -834.981 where: short stacking energy: -400.976 Base-Backbone interact. energy: 1.567 local terms energy: -450.032920 where: bonds (distance) C4'-P energy: -85.710 bonds (distance) P-C4' energy: -94.354 flat angles C4'-P-C4' energy: -109.704 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -106.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1183.064872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.064872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.064872 (E_RNA) where: Base-Base interactions energy: -750.620 where: short stacking energy: -351.408 Base-Backbone interact. energy: -2.878 local terms energy: -429.567154 where: bonds (distance) C4'-P energy: -97.337 bonds (distance) P-C4' energy: -85.163 flat angles C4'-P-C4' energy: -87.004 flat angles P-C4'-P energy: -61.847 tors. eta vs tors. theta energy: -98.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -992.540424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.540424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.540424 (E_RNA) where: Base-Base interactions energy: -602.459 where: short stacking energy: -291.547 Base-Backbone interact. energy: -1.638 local terms energy: -388.443721 where: bonds (distance) C4'-P energy: -72.257 bonds (distance) P-C4' energy: -83.441 flat angles C4'-P-C4' energy: -90.173 flat angles P-C4'-P energy: -56.833 tors. eta vs tors. theta energy: -85.739 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: 7, replica: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -837.834527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.834527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.834527 (E_RNA) where: Base-Base interactions energy: -493.784 where: short stacking energy: -230.803 Base-Backbone interact. energy: 4.981 local terms energy: -349.030757 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -91.764 flat angles C4'-P-C4' energy: -81.511 flat angles P-C4'-P energy: -43.295 tors. eta vs tors. theta energy: -39.346 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: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -724.816923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.816923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.816923 (E_RNA) where: Base-Base interactions energy: -411.599 where: short stacking energy: -181.622 Base-Backbone interact. energy: -2.658 local terms energy: -310.559046 where: bonds (distance) C4'-P energy: -74.160 bonds (distance) P-C4' energy: -97.363 flat angles C4'-P-C4' energy: -78.063 flat angles P-C4'-P energy: -38.787 tors. eta vs tors. theta energy: -22.185 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: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -538.212190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.212190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.212190 (E_RNA) where: Base-Base interactions energy: -255.066 where: short stacking energy: -176.303 Base-Backbone interact. energy: -0.713 local terms energy: -282.433536 where: bonds (distance) C4'-P energy: -79.737 bonds (distance) P-C4' energy: -93.946 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -43.668 tors. eta vs tors. theta energy: -0.306 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: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -376.646097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.646097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.646097 (E_RNA) where: Base-Base interactions energy: -131.662 where: short stacking energy: -108.338 Base-Backbone interact. energy: 8.849 local terms energy: -253.833811 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -84.566 flat angles C4'-P-C4' energy: -70.845 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: 20.878 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: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1538.259087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.259087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.259087 (E_RNA) where: Base-Base interactions energy: -1012.266 where: short stacking energy: -464.844 Base-Backbone interact. energy: -0.610 local terms energy: -525.382927 where: bonds (distance) C4'-P energy: -95.533 bonds (distance) P-C4' energy: -101.854 flat angles C4'-P-C4' energy: -107.735 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -146.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1479.517242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.517242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.517242 (E_RNA) where: Base-Base interactions energy: -1004.389 where: short stacking energy: -436.467 Base-Backbone interact. energy: -3.078 local terms energy: -472.050462 where: bonds (distance) C4'-P energy: -87.259 bonds (distance) P-C4' energy: -93.214 flat angles C4'-P-C4' energy: -99.913 flat angles P-C4'-P energy: -71.824 tors. eta vs tors. theta energy: -119.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1303.458252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.458252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.458252 (E_RNA) where: Base-Base interactions energy: -836.686 where: short stacking energy: -396.246 Base-Backbone interact. energy: -1.768 local terms energy: -465.004716 where: bonds (distance) C4'-P energy: -93.299 bonds (distance) P-C4' energy: -84.666 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -62.133 tors. eta vs tors. theta energy: -120.831 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: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1310.173435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.173435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.173435 (E_RNA) where: Base-Base interactions energy: -848.322 where: short stacking energy: -401.666 Base-Backbone interact. energy: -0.089 local terms energy: -461.762099 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -102.683 flat angles C4'-P-C4' energy: -90.858 flat angles P-C4'-P energy: -72.303 tors. eta vs tors. theta energy: -105.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1213.927360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.927360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.927360 (E_RNA) where: Base-Base interactions energy: -783.275 where: short stacking energy: -366.748 Base-Backbone interact. energy: -2.455 local terms energy: -428.197569 where: bonds (distance) C4'-P energy: -88.591 bonds (distance) P-C4' energy: -93.762 flat angles C4'-P-C4' energy: -94.374 flat angles P-C4'-P energy: -49.795 tors. eta vs tors. theta energy: -101.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -999.670250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.670250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.670250 (E_RNA) where: Base-Base interactions energy: -626.868 where: short stacking energy: -302.167 Base-Backbone interact. energy: 0.703 local terms energy: -373.505259 where: bonds (distance) C4'-P energy: -77.919 bonds (distance) P-C4' energy: -91.902 flat angles C4'-P-C4' energy: -74.504 flat angles P-C4'-P energy: -62.940 tors. eta vs tors. theta energy: -66.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -861.809127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.809127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.809127 (E_RNA) where: Base-Base interactions energy: -514.453 where: short stacking energy: -232.298 Base-Backbone interact. energy: -0.367 local terms energy: -346.988803 where: bonds (distance) C4'-P energy: -61.932 bonds (distance) P-C4' energy: -94.656 flat angles C4'-P-C4' energy: -92.536 flat angles P-C4'-P energy: -54.771 tors. eta vs tors. theta energy: -43.093 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: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -693.021127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.021127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.021127 (E_RNA) where: Base-Base interactions energy: -393.249 where: short stacking energy: -192.012 Base-Backbone interact. energy: 1.493 local terms energy: -301.264631 where: bonds (distance) C4'-P energy: -88.299 bonds (distance) P-C4' energy: -72.424 flat angles C4'-P-C4' energy: -72.856 flat angles P-C4'-P energy: -54.294 tors. eta vs tors. theta energy: -13.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -581.188819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.188819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.188819 (E_RNA) where: Base-Base interactions energy: -274.113 where: short stacking energy: -150.736 Base-Backbone interact. energy: -0.605 local terms energy: -306.470670 where: bonds (distance) C4'-P energy: -88.623 bonds (distance) P-C4' energy: -82.308 flat angles C4'-P-C4' energy: -67.894 flat angles P-C4'-P energy: -51.396 tors. eta vs tors. theta energy: -16.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -370.719568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.719568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.719568 (E_RNA) where: Base-Base interactions energy: -126.576 where: short stacking energy: -116.738 Base-Backbone interact. energy: 2.054 local terms energy: -246.196863 where: bonds (distance) C4'-P energy: -82.860 bonds (distance) P-C4' energy: -80.016 flat angles C4'-P-C4' energy: -70.124 flat angles P-C4'-P energy: -18.680 tors. eta vs tors. theta energy: 5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1522.979559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.979559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.979559 (E_RNA) where: Base-Base interactions energy: -1010.928 where: short stacking energy: -465.412 Base-Backbone interact. energy: 1.887 local terms energy: -513.938856 where: bonds (distance) C4'-P energy: -97.475 bonds (distance) P-C4' energy: -98.084 flat angles C4'-P-C4' energy: -98.464 flat angles P-C4'-P energy: -73.699 tors. eta vs tors. theta energy: -146.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1456.262225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.262225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.262225 (E_RNA) where: Base-Base interactions energy: -1016.564 where: short stacking energy: -459.115 Base-Backbone interact. energy: -2.196 local terms energy: -437.502324 where: bonds (distance) C4'-P energy: -80.028 bonds (distance) P-C4' energy: -80.653 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -116.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1296.219188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.219188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.219188 (E_RNA) where: Base-Base interactions energy: -836.852 where: short stacking energy: -417.785 Base-Backbone interact. energy: -2.621 local terms energy: -456.745954 where: bonds (distance) C4'-P energy: -84.566 bonds (distance) P-C4' energy: -91.619 flat angles C4'-P-C4' energy: -98.604 flat angles P-C4'-P energy: -70.042 tors. eta vs tors. theta energy: -111.915 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: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1285.641320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.641320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.641320 (E_RNA) where: Base-Base interactions energy: -824.419 where: short stacking energy: -400.253 Base-Backbone interact. energy: 2.302 local terms energy: -463.524106 where: bonds (distance) C4'-P energy: -90.713 bonds (distance) P-C4' energy: -88.542 flat angles C4'-P-C4' energy: -96.935 flat angles P-C4'-P energy: -75.629 tors. eta vs tors. theta energy: -111.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1197.024840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.024840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.024840 (E_RNA) where: Base-Base interactions energy: -764.382 where: short stacking energy: -346.243 Base-Backbone interact. energy: -0.007 local terms energy: -432.635189 where: bonds (distance) C4'-P energy: -78.477 bonds (distance) P-C4' energy: -92.325 flat angles C4'-P-C4' energy: -101.652 flat angles P-C4'-P energy: -62.975 tors. eta vs tors. theta energy: -97.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -953.245552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.245552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.245552 (E_RNA) where: Base-Base interactions energy: -587.317 where: short stacking energy: -284.699 Base-Backbone interact. energy: -1.303 local terms energy: -364.625643 where: bonds (distance) C4'-P energy: -101.558 bonds (distance) P-C4' energy: -64.654 flat angles C4'-P-C4' energy: -90.112 flat angles P-C4'-P energy: -43.852 tors. eta vs tors. theta energy: -64.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -825.816990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.816990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.816990 (E_RNA) where: Base-Base interactions energy: -512.669 where: short stacking energy: -245.999 Base-Backbone interact. energy: 3.444 local terms energy: -316.591984 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -75.246 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -52.514 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: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -689.453070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.453070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.453070 (E_RNA) where: Base-Base interactions energy: -382.113 where: short stacking energy: -194.810 Base-Backbone interact. energy: -3.863 local terms energy: -303.476394 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -92.908 flat angles C4'-P-C4' energy: -86.116 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -12.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -555.704142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.704142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.704142 (E_RNA) where: Base-Base interactions energy: -292.630 where: short stacking energy: -166.584 Base-Backbone interact. energy: 3.607 local terms energy: -266.680796 where: bonds (distance) C4'-P energy: -77.048 bonds (distance) P-C4' energy: -55.905 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -47.337 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -379.747518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.747518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.747518 (E_RNA) where: Base-Base interactions energy: -137.101 where: short stacking energy: -104.489 Base-Backbone interact. energy: -2.124 local terms energy: -240.522330 where: bonds (distance) C4'-P energy: -82.939 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -60.365 flat angles P-C4'-P energy: -31.575 tors. eta vs tors. theta energy: 14.611 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: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1536.106691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.106691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.106691 (E_RNA) where: Base-Base interactions energy: -1014.365 where: short stacking energy: -469.528 Base-Backbone interact. energy: -1.033 local terms energy: -520.708473 where: bonds (distance) C4'-P energy: -97.424 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -111.982 flat angles P-C4'-P energy: -69.824 tors. eta vs tors. theta energy: -141.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1477.470830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.470830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.470830 (E_RNA) where: Base-Base interactions energy: -1008.825 where: short stacking energy: -426.162 Base-Backbone interact. energy: -3.287 local terms energy: -465.358634 where: bonds (distance) C4'-P energy: -90.650 bonds (distance) P-C4' energy: -103.039 flat angles C4'-P-C4' energy: -94.003 flat angles P-C4'-P energy: -58.374 tors. eta vs tors. theta energy: -119.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1244.786801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.786801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.786801 (E_RNA) where: Base-Base interactions energy: -789.852 where: short stacking energy: -375.146 Base-Backbone interact. energy: 0.498 local terms energy: -455.432670 where: bonds (distance) C4'-P energy: -86.994 bonds (distance) P-C4' energy: -93.455 flat angles C4'-P-C4' energy: -101.359 flat angles P-C4'-P energy: -60.943 tors. eta vs tors. theta energy: -112.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1319.553946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.553946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.553946 (E_RNA) where: Base-Base interactions energy: -876.534 where: short stacking energy: -417.936 Base-Backbone interact. energy: -0.673 local terms energy: -442.346522 where: bonds (distance) C4'-P energy: -73.038 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -99.787 flat angles P-C4'-P energy: -65.798 tors. eta vs tors. theta energy: -110.904 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: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1191.607704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.607704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.607704 (E_RNA) where: Base-Base interactions energy: -761.107 where: short stacking energy: -365.755 Base-Backbone interact. energy: -0.003 local terms energy: -430.497468 where: bonds (distance) C4'-P energy: -89.469 bonds (distance) P-C4' energy: -89.951 flat angles C4'-P-C4' energy: -101.136 flat angles P-C4'-P energy: -51.082 tors. eta vs tors. theta energy: -98.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -930.434945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.434945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.434945 (E_RNA) where: Base-Base interactions energy: -553.085 where: short stacking energy: -257.726 Base-Backbone interact. energy: -0.786 local terms energy: -376.563764 where: bonds (distance) C4'-P energy: -93.816 bonds (distance) P-C4' energy: -90.913 flat angles C4'-P-C4' energy: -83.922 flat angles P-C4'-P energy: -51.974 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: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -810.434781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.434781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.434781 (E_RNA) where: Base-Base interactions energy: -481.092 where: short stacking energy: -244.346 Base-Backbone interact. energy: -2.010 local terms energy: -327.332812 where: bonds (distance) C4'-P energy: -70.691 bonds (distance) P-C4' energy: -92.190 flat angles C4'-P-C4' energy: -74.545 flat angles P-C4'-P energy: -39.836 tors. eta vs tors. theta energy: -50.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -738.524699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.524699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.524699 (E_RNA) where: Base-Base interactions energy: -452.072 where: short stacking energy: -216.964 Base-Backbone interact. energy: -2.247 local terms energy: -284.206002 where: bonds (distance) C4'-P energy: -59.690 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -78.589 flat angles P-C4'-P energy: -47.181 tors. eta vs tors. theta energy: -36.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -525.306543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.306543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.306543 (E_RNA) where: Base-Base interactions energy: -256.162 where: short stacking energy: -150.296 Base-Backbone interact. energy: 1.377 local terms energy: -270.521295 where: bonds (distance) C4'-P energy: -86.337 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -71.709 flat angles P-C4'-P energy: -34.697 tors. eta vs tors. theta energy: 6.760 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: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -389.167391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.167391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.167391 (E_RNA) where: Base-Base interactions energy: -126.112 where: short stacking energy: -111.452 Base-Backbone interact. energy: 0.514 local terms energy: -263.569974 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -38.799 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: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1536.039878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.039878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.039878 (E_RNA) where: Base-Base interactions energy: -1018.732 where: short stacking energy: -465.251 Base-Backbone interact. energy: -2.883 local terms energy: -514.424671 where: bonds (distance) C4'-P energy: -100.719 bonds (distance) P-C4' energy: -92.211 flat angles C4'-P-C4' energy: -112.672 flat angles P-C4'-P energy: -67.976 tors. eta vs tors. theta energy: -140.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1468.222341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.222341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.222341 (E_RNA) where: Base-Base interactions energy: -974.697 where: short stacking energy: -420.304 Base-Backbone interact. energy: -5.162 local terms energy: -488.363770 where: bonds (distance) C4'-P energy: -107.325 bonds (distance) P-C4' energy: -90.817 flat angles C4'-P-C4' energy: -106.940 flat angles P-C4'-P energy: -71.917 tors. eta vs tors. theta energy: -111.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1300.015118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.015118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.015118 (E_RNA) where: Base-Base interactions energy: -830.829 where: short stacking energy: -390.397 Base-Backbone interact. energy: -1.030 local terms energy: -468.156521 where: bonds (distance) C4'-P energy: -99.323 bonds (distance) P-C4' energy: -90.713 flat angles C4'-P-C4' energy: -113.424 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: -114.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1258.112445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.112445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.112445 (E_RNA) where: Base-Base interactions energy: -796.941 where: short stacking energy: -392.820 Base-Backbone interact. energy: -2.282 local terms energy: -458.889790 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -84.929 flat angles C4'-P-C4' energy: -110.695 flat angles P-C4'-P energy: -65.630 tors. eta vs tors. theta energy: -106.607 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: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1141.702219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.702219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.702219 (E_RNA) where: Base-Base interactions energy: -713.054 where: short stacking energy: -353.924 Base-Backbone interact. energy: -1.224 local terms energy: -427.424694 where: bonds (distance) C4'-P energy: -74.527 bonds (distance) P-C4' energy: -97.695 flat angles C4'-P-C4' energy: -96.546 flat angles P-C4'-P energy: -66.493 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: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -974.559900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.559900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.559900 (E_RNA) where: Base-Base interactions energy: -608.572 where: short stacking energy: -280.868 Base-Backbone interact. energy: 2.105 local terms energy: -368.093242 where: bonds (distance) C4'-P energy: -62.347 bonds (distance) P-C4' energy: -79.861 flat angles C4'-P-C4' energy: -84.593 flat angles P-C4'-P energy: -69.537 tors. eta vs tors. theta energy: -71.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -822.689476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.689476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.689476 (E_RNA) where: Base-Base interactions energy: -462.778 where: short stacking energy: -234.679 Base-Backbone interact. energy: 0.428 local terms energy: -360.339014 where: bonds (distance) C4'-P energy: -92.569 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -76.659 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -32.135 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: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -760.266752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.266752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.266752 (E_RNA) where: Base-Base interactions energy: -460.411 where: short stacking energy: -240.642 Base-Backbone interact. energy: 0.866 local terms energy: -300.722128 where: bonds (distance) C4'-P energy: -81.671 bonds (distance) P-C4' energy: -73.269 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -38.779 tors. eta vs tors. theta energy: -38.450 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: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -542.649082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.649082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.649082 (E_RNA) where: Base-Base interactions energy: -271.487 where: short stacking energy: -143.137 Base-Backbone interact. energy: 0.204 local terms energy: -271.366253 where: bonds (distance) C4'-P energy: -88.964 bonds (distance) P-C4' energy: -52.522 flat angles C4'-P-C4' energy: -76.478 flat angles P-C4'-P energy: -51.932 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -393.974371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.974371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.974371 (E_RNA) where: Base-Base interactions energy: -112.365 where: short stacking energy: -97.325 Base-Backbone interact. energy: -1.465 local terms energy: -280.144545 where: bonds (distance) C4'-P energy: -84.449 bonds (distance) P-C4' energy: -85.301 flat angles C4'-P-C4' energy: -73.137 flat angles P-C4'-P energy: -42.707 tors. eta vs tors. theta energy: 5.449 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: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1502.791647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.791647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.791647 (E_RNA) where: Base-Base interactions energy: -1006.545 where: short stacking energy: -455.999 Base-Backbone interact. energy: -1.266 local terms energy: -494.981182 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -94.780 flat angles C4'-P-C4' energy: -112.678 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -131.637 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: 2, replica: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1441.881340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.881340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.881340 (E_RNA) where: Base-Base interactions energy: -953.421 where: short stacking energy: -424.865 Base-Backbone interact. energy: -2.281 local terms energy: -486.179050 where: bonds (distance) C4'-P energy: -100.798 bonds (distance) P-C4' energy: -86.883 flat angles C4'-P-C4' energy: -106.499 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -120.896 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: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1313.223855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.223855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.223855 (E_RNA) where: Base-Base interactions energy: -856.219 where: short stacking energy: -407.399 Base-Backbone interact. energy: -1.055 local terms energy: -455.949840 where: bonds (distance) C4'-P energy: -94.551 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -98.062 flat angles P-C4'-P energy: -68.188 tors. eta vs tors. theta energy: -105.888 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: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1203.441400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.441400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.441400 (E_RNA) where: Base-Base interactions energy: -755.141 where: short stacking energy: -361.573 Base-Backbone interact. energy: -2.528 local terms energy: -445.772840 where: bonds (distance) C4'-P energy: -91.756 bonds (distance) P-C4' energy: -89.753 flat angles C4'-P-C4' energy: -89.757 flat angles P-C4'-P energy: -70.289 tors. eta vs tors. theta energy: -104.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1106.852625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.852625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.852625 (E_RNA) where: Base-Base interactions energy: -717.337 where: short stacking energy: -347.150 Base-Backbone interact. energy: -1.041 local terms energy: -388.473982 where: bonds (distance) C4'-P energy: -80.010 bonds (distance) P-C4' energy: -75.283 flat angles C4'-P-C4' energy: -90.118 flat angles P-C4'-P energy: -62.025 tors. eta vs tors. theta energy: -81.038 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: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -981.405341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.405341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.405341 (E_RNA) where: Base-Base interactions energy: -604.170 where: short stacking energy: -318.575 Base-Backbone interact. energy: -1.117 local terms energy: -376.119176 where: bonds (distance) C4'-P energy: -81.582 bonds (distance) P-C4' energy: -80.366 flat angles C4'-P-C4' energy: -79.457 flat angles P-C4'-P energy: -54.405 tors. eta vs tors. theta energy: -80.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -796.711909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.711909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.711909 (E_RNA) where: Base-Base interactions energy: -458.876 where: short stacking energy: -222.998 Base-Backbone interact. energy: 2.201 local terms energy: -340.036816 where: bonds (distance) C4'-P energy: -79.969 bonds (distance) P-C4' energy: -84.927 flat angles C4'-P-C4' energy: -80.756 flat angles P-C4'-P energy: -57.240 tors. eta vs tors. theta energy: -37.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -723.543476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.543476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.543476 (E_RNA) where: Base-Base interactions energy: -406.134 where: short stacking energy: -207.667 Base-Backbone interact. energy: 0.484 local terms energy: -317.894009 where: bonds (distance) C4'-P energy: -78.970 bonds (distance) P-C4' energy: -70.101 flat angles C4'-P-C4' energy: -91.515 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -24.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -582.324087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.324087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.324087 (E_RNA) where: Base-Base interactions energy: -288.178 where: short stacking energy: -144.601 Base-Backbone interact. energy: -1.385 local terms energy: -292.760852 where: bonds (distance) C4'-P energy: -73.869 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -83.727 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -0.474 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: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -378.395697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.395697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.395697 (E_RNA) where: Base-Base interactions energy: -116.159 where: short stacking energy: -100.101 Base-Backbone interact. energy: -2.679 local terms energy: -259.557610 where: bonds (distance) C4'-P energy: -82.105 bonds (distance) P-C4' energy: -81.762 flat angles C4'-P-C4' energy: -73.681 flat angles P-C4'-P energy: -25.270 tors. eta vs tors. theta energy: 3.260 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: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1557.744700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.744700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.744700 (E_RNA) where: Base-Base interactions energy: -1034.754 where: short stacking energy: -484.870 Base-Backbone interact. energy: 0.094 local terms energy: -523.084298 where: bonds (distance) C4'-P energy: -103.384 bonds (distance) P-C4' energy: -99.469 flat angles C4'-P-C4' energy: -106.887 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: -146.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1477.178994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.178994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.178994 (E_RNA) where: Base-Base interactions energy: -1008.493 where: short stacking energy: -441.168 Base-Backbone interact. energy: -3.348 local terms energy: -465.338087 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -81.785 flat angles C4'-P-C4' energy: -99.742 flat angles P-C4'-P energy: -58.112 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: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1314.879776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.879776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.879776 (E_RNA) where: Base-Base interactions energy: -851.088 where: short stacking energy: -426.380 Base-Backbone interact. energy: -0.880 local terms energy: -462.911898 where: bonds (distance) C4'-P energy: -91.705 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -103.573 flat angles P-C4'-P energy: -63.567 tors. eta vs tors. theta energy: -117.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1223.886326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.886326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.886326 (E_RNA) where: Base-Base interactions energy: -774.368 where: short stacking energy: -393.840 Base-Backbone interact. energy: -0.450 local terms energy: -449.069031 where: bonds (distance) C4'-P energy: -94.416 bonds (distance) P-C4' energy: -87.313 flat angles C4'-P-C4' energy: -98.340 flat angles P-C4'-P energy: -55.911 tors. eta vs tors. theta energy: -113.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1147.275451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.275451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.275451 (E_RNA) where: Base-Base interactions energy: -734.901 where: short stacking energy: -345.876 Base-Backbone interact. energy: -1.394 local terms energy: -410.980223 where: bonds (distance) C4'-P energy: -88.911 bonds (distance) P-C4' energy: -92.037 flat angles C4'-P-C4' energy: -84.156 flat angles P-C4'-P energy: -54.183 tors. eta vs tors. theta energy: -91.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -992.640152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.640152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.640152 (E_RNA) where: Base-Base interactions energy: -622.768 where: short stacking energy: -293.716 Base-Backbone interact. energy: -2.088 local terms energy: -367.784131 where: bonds (distance) C4'-P energy: -76.380 bonds (distance) P-C4' energy: -80.643 flat angles C4'-P-C4' energy: -97.179 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -66.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -794.217881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.217881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.217881 (E_RNA) where: Base-Base interactions energy: -442.845 where: short stacking energy: -218.123 Base-Backbone interact. energy: -0.091 local terms energy: -351.281771 where: bonds (distance) C4'-P energy: -91.590 bonds (distance) P-C4' energy: -87.256 flat angles C4'-P-C4' energy: -83.870 flat angles P-C4'-P energy: -34.664 tors. eta vs tors. theta energy: -53.901 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: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -732.542178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.542178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.542178 (E_RNA) where: Base-Base interactions energy: -427.075 where: short stacking energy: -218.887 Base-Backbone interact. energy: 0.292 local terms energy: -305.758978 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -82.904 flat angles C4'-P-C4' energy: -72.635 flat angles P-C4'-P energy: -52.596 tors. eta vs tors. theta energy: -29.126 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: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -624.451914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.451914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.451914 (E_RNA) where: Base-Base interactions energy: -323.836 where: short stacking energy: -196.932 Base-Backbone interact. energy: -0.231 local terms energy: -300.384716 where: bonds (distance) C4'-P energy: -75.084 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -75.084 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -33.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -387.324568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.324568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.324568 (E_RNA) where: Base-Base interactions energy: -148.168 where: short stacking energy: -127.950 Base-Backbone interact. energy: -0.476 local terms energy: -238.680924 where: bonds (distance) C4'-P energy: -62.001 bonds (distance) P-C4' energy: -83.854 flat angles C4'-P-C4' energy: -59.205 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: 0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1525.028303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.028303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.028303 (E_RNA) where: Base-Base interactions energy: -1007.267 where: short stacking energy: -444.409 Base-Backbone interact. energy: -2.760 local terms energy: -515.000891 where: bonds (distance) C4'-P energy: -96.200 bonds (distance) P-C4' energy: -96.341 flat angles C4'-P-C4' energy: -104.245 flat angles P-C4'-P energy: -73.837 tors. eta vs tors. theta energy: -144.378 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: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1486.798722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.798722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.798722 (E_RNA) where: Base-Base interactions energy: -1000.827 where: short stacking energy: -434.971 Base-Backbone interact. energy: -2.112 local terms energy: -483.859214 where: bonds (distance) C4'-P energy: -98.665 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -107.620 flat angles P-C4'-P energy: -65.266 tors. eta vs tors. theta energy: -126.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1303.650192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.650192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.650192 (E_RNA) where: Base-Base interactions energy: -848.049 where: short stacking energy: -394.317 Base-Backbone interact. energy: -0.603 local terms energy: -454.997594 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -94.028 flat angles C4'-P-C4' energy: -97.949 flat angles P-C4'-P energy: -55.178 tors. eta vs tors. theta energy: -121.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1243.030588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.030588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.030588 (E_RNA) where: Base-Base interactions energy: -817.413 where: short stacking energy: -391.122 Base-Backbone interact. energy: 0.309 local terms energy: -425.926587 where: bonds (distance) C4'-P energy: -83.113 bonds (distance) P-C4' energy: -81.443 flat angles C4'-P-C4' energy: -95.220 flat angles P-C4'-P energy: -46.960 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: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1120.040170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.040170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.040170 (E_RNA) where: Base-Base interactions energy: -704.040 where: short stacking energy: -346.115 Base-Backbone interact. energy: 4.895 local terms energy: -420.895278 where: bonds (distance) C4'-P energy: -88.196 bonds (distance) P-C4' energy: -87.814 flat angles C4'-P-C4' energy: -107.222 flat angles P-C4'-P energy: -57.670 tors. eta vs tors. theta energy: -79.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1003.497674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.497674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.497674 (E_RNA) where: Base-Base interactions energy: -639.170 where: short stacking energy: -309.014 Base-Backbone interact. energy: -0.472 local terms energy: -363.855611 where: bonds (distance) C4'-P energy: -76.233 bonds (distance) P-C4' energy: -85.255 flat angles C4'-P-C4' energy: -93.431 flat angles P-C4'-P energy: -39.195 tors. eta vs tors. theta energy: -69.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -846.384459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.384459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.384459 (E_RNA) where: Base-Base interactions energy: -486.194 where: short stacking energy: -244.151 Base-Backbone interact. energy: 1.945 local terms energy: -362.135568 where: bonds (distance) C4'-P energy: -79.088 bonds (distance) P-C4' energy: -103.419 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -44.646 tors. eta vs tors. theta energy: -48.326 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: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -721.043609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.043609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.043609 (E_RNA) where: Base-Base interactions energy: -410.362 where: short stacking energy: -220.416 Base-Backbone interact. energy: 1.373 local terms energy: -312.055331 where: bonds (distance) C4'-P energy: -82.194 bonds (distance) P-C4' energy: -85.745 flat angles C4'-P-C4' energy: -76.318 flat angles P-C4'-P energy: -37.290 tors. eta vs tors. theta energy: -30.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -514.087266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.087266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.087266 (E_RNA) where: Base-Base interactions energy: -243.000 where: short stacking energy: -160.660 Base-Backbone interact. energy: 0.705 local terms energy: -271.792255 where: bonds (distance) C4'-P energy: -85.787 bonds (distance) P-C4' energy: -69.349 flat angles C4'-P-C4' energy: -62.502 flat angles P-C4'-P energy: -47.360 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -375.185098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.185098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.185098 (E_RNA) where: Base-Base interactions energy: -132.296 where: short stacking energy: -121.243 Base-Backbone interact. energy: 0.337 local terms energy: -243.225704 where: bonds (distance) C4'-P energy: -63.625 bonds (distance) P-C4' energy: -69.884 flat angles C4'-P-C4' energy: -72.005 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: 6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1541.037628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.037628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.037628 (E_RNA) where: Base-Base interactions energy: -1041.146 where: short stacking energy: -457.887 Base-Backbone interact. energy: 1.219 local terms energy: -501.110173 where: bonds (distance) C4'-P energy: -97.773 bonds (distance) P-C4' energy: -99.669 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -67.533 tors. eta vs tors. theta energy: -134.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1487.898206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.898206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.898206 (E_RNA) where: Base-Base interactions energy: -968.044 where: short stacking energy: -449.985 Base-Backbone interact. energy: 0.760 local terms energy: -520.614373 where: bonds (distance) C4'-P energy: -78.166 bonds (distance) P-C4' energy: -113.056 flat angles C4'-P-C4' energy: -117.892 flat angles P-C4'-P energy: -72.939 tors. eta vs tors. theta energy: -138.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1314.134784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.134784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.134784 (E_RNA) where: Base-Base interactions energy: -844.823 where: short stacking energy: -400.869 Base-Backbone interact. energy: -1.171 local terms energy: -468.140568 where: bonds (distance) C4'-P energy: -81.928 bonds (distance) P-C4' energy: -96.857 flat angles C4'-P-C4' energy: -103.649 flat angles P-C4'-P energy: -68.085 tors. eta vs tors. theta energy: -117.621 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: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1231.214748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.214748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.214748 (E_RNA) where: Base-Base interactions energy: -801.422 where: short stacking energy: -399.975 Base-Backbone interact. energy: -2.679 local terms energy: -427.113772 where: bonds (distance) C4'-P energy: -80.925 bonds (distance) P-C4' energy: -81.302 flat angles C4'-P-C4' energy: -94.985 flat angles P-C4'-P energy: -61.733 tors. eta vs tors. theta energy: -108.169 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: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1095.091266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.091266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.091266 (E_RNA) where: Base-Base interactions energy: -685.659 where: short stacking energy: -319.912 Base-Backbone interact. energy: -1.893 local terms energy: -407.538950 where: bonds (distance) C4'-P energy: -86.711 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -83.684 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -83.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -971.284556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.284556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.284556 (E_RNA) where: Base-Base interactions energy: -595.325 where: short stacking energy: -307.142 Base-Backbone interact. energy: 2.650 local terms energy: -378.609692 where: bonds (distance) C4'-P energy: -82.597 bonds (distance) P-C4' energy: -89.252 flat angles C4'-P-C4' energy: -87.002 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -78.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -834.507887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.507887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.507887 (E_RNA) where: Base-Base interactions energy: -495.854 where: short stacking energy: -235.212 Base-Backbone interact. energy: 0.294 local terms energy: -338.948129 where: bonds (distance) C4'-P energy: -76.288 bonds (distance) P-C4' energy: -80.683 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -43.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -722.074101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.074101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.074101 (E_RNA) where: Base-Base interactions energy: -411.239 where: short stacking energy: -202.900 Base-Backbone interact. energy: -1.930 local terms energy: -308.904927 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -71.540 flat angles C4'-P-C4' energy: -73.705 flat angles P-C4'-P energy: -46.115 tors. eta vs tors. theta energy: -33.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -540.107748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.107748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.107748 (E_RNA) where: Base-Base interactions energy: -258.260 where: short stacking energy: -149.538 Base-Backbone interact. energy: 0.779 local terms energy: -282.626388 where: bonds (distance) C4'-P energy: -72.939 bonds (distance) P-C4' energy: -81.541 flat angles C4'-P-C4' energy: -66.181 flat angles P-C4'-P energy: -60.280 tors. eta vs tors. theta energy: -1.685 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: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -380.233020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.233020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.233020 (E_RNA) where: Base-Base interactions energy: -133.440 where: short stacking energy: -102.792 Base-Backbone interact. energy: -1.361 local terms energy: -245.431650 where: bonds (distance) C4'-P energy: -77.910 bonds (distance) P-C4' energy: -80.216 flat angles C4'-P-C4' energy: -66.547 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: 31.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1525.315448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.315448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.315448 (E_RNA) where: Base-Base interactions energy: -1011.713 where: short stacking energy: -442.828 Base-Backbone interact. energy: -5.034 local terms energy: -508.567591 where: bonds (distance) C4'-P energy: -103.049 bonds (distance) P-C4' energy: -95.726 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -75.542 tors. eta vs tors. theta energy: -131.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1519.278872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.278872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.278872 (E_RNA) where: Base-Base interactions energy: -987.389 where: short stacking energy: -461.683 Base-Backbone interact. energy: -3.633 local terms energy: -528.256529 where: bonds (distance) C4'-P energy: -95.590 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -113.843 flat angles P-C4'-P energy: -71.694 tors. eta vs tors. theta energy: -150.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1331.010152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.010152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.010152 (E_RNA) where: Base-Base interactions energy: -855.102 where: short stacking energy: -418.982 Base-Backbone interact. energy: 0.408 local terms energy: -476.316041 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -112.604 flat angles P-C4'-P energy: -60.639 tors. eta vs tors. theta energy: -117.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1176.593021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.593021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.593021 (E_RNA) where: Base-Base interactions energy: -787.395 where: short stacking energy: -356.371 Base-Backbone interact. energy: -0.337 local terms energy: -388.861468 where: bonds (distance) C4'-P energy: -80.349 bonds (distance) P-C4' energy: -72.051 flat angles C4'-P-C4' energy: -82.868 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -99.044 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: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1114.938240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.938240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.938240 (E_RNA) where: Base-Base interactions energy: -698.558 where: short stacking energy: -316.590 Base-Backbone interact. energy: -1.089 local terms energy: -415.291290 where: bonds (distance) C4'-P energy: -80.216 bonds (distance) P-C4' energy: -105.966 flat angles C4'-P-C4' energy: -90.165 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -88.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -948.816944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.816944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.816944 (E_RNA) where: Base-Base interactions energy: -564.609 where: short stacking energy: -277.195 Base-Backbone interact. energy: -0.334 local terms energy: -383.874178 where: bonds (distance) C4'-P energy: -68.387 bonds (distance) P-C4' energy: -82.243 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -64.095 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: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -852.501627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.501627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.501627 (E_RNA) where: Base-Base interactions energy: -498.093 where: short stacking energy: -254.193 Base-Backbone interact. energy: 1.130 local terms energy: -355.538328 where: bonds (distance) C4'-P energy: -82.610 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -89.491 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: -54.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -720.935671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.935671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.935671 (E_RNA) where: Base-Base interactions energy: -423.333 where: short stacking energy: -199.485 Base-Backbone interact. energy: -2.439 local terms energy: -295.163948 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -86.379 flat angles C4'-P-C4' energy: -68.037 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -18.799 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: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -533.796964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.796964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.796964 (E_RNA) where: Base-Base interactions energy: -246.932 where: short stacking energy: -150.399 Base-Backbone interact. energy: -2.779 local terms energy: -284.086745 where: bonds (distance) C4'-P energy: -85.223 bonds (distance) P-C4' energy: -86.443 flat angles C4'-P-C4' energy: -55.375 flat angles P-C4'-P energy: -58.014 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: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -414.986624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.986624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.986624 (E_RNA) where: Base-Base interactions energy: -145.457 where: short stacking energy: -94.762 Base-Backbone interact. energy: -1.722 local terms energy: -267.808074 where: bonds (distance) C4'-P energy: -76.697 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -61.887 flat angles P-C4'-P energy: -51.316 tors. eta vs tors. theta energy: 10.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1525.719327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.719327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.719327 (E_RNA) where: Base-Base interactions energy: -1023.407 where: short stacking energy: -451.532 Base-Backbone interact. energy: -2.327 local terms energy: -499.985257 where: bonds (distance) C4'-P energy: -99.306 bonds (distance) P-C4' energy: -93.797 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -77.432 tors. eta vs tors. theta energy: -127.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1484.541310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.541310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.541310 (E_RNA) where: Base-Base interactions energy: -987.117 where: short stacking energy: -470.811 Base-Backbone interact. energy: 0.492 local terms energy: -497.916416 where: bonds (distance) C4'-P energy: -94.313 bonds (distance) P-C4' energy: -86.043 flat angles C4'-P-C4' energy: -98.629 flat angles P-C4'-P energy: -75.237 tors. eta vs tors. theta energy: -143.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1335.208232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.208232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.208232 (E_RNA) where: Base-Base interactions energy: -836.548 where: short stacking energy: -421.455 Base-Backbone interact. energy: -1.756 local terms energy: -496.903779 where: bonds (distance) C4'-P energy: -100.292 bonds (distance) P-C4' energy: -97.280 flat angles C4'-P-C4' energy: -102.522 flat angles P-C4'-P energy: -71.106 tors. eta vs tors. theta energy: -125.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1174.207383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.207383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.207383 (E_RNA) where: Base-Base interactions energy: -738.266 where: short stacking energy: -325.747 Base-Backbone interact. energy: -1.120 local terms energy: -434.821826 where: bonds (distance) C4'-P energy: -87.955 bonds (distance) P-C4' energy: -86.643 flat angles C4'-P-C4' energy: -99.331 flat angles P-C4'-P energy: -62.911 tors. eta vs tors. theta energy: -97.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1107.175930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.175930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.175930 (E_RNA) where: Base-Base interactions energy: -701.999 where: short stacking energy: -325.599 Base-Backbone interact. energy: 1.226 local terms energy: -406.402884 where: bonds (distance) C4'-P energy: -102.306 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -88.580 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -87.599 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: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -956.914718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.914718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.914718 (E_RNA) where: Base-Base interactions energy: -576.506 where: short stacking energy: -263.045 Base-Backbone interact. energy: 3.615 local terms energy: -384.023062 where: bonds (distance) C4'-P energy: -90.338 bonds (distance) P-C4' energy: -81.921 flat angles C4'-P-C4' energy: -95.315 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -57.670 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: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -825.651658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.651658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.651658 (E_RNA) where: Base-Base interactions energy: -475.190 where: short stacking energy: -222.766 Base-Backbone interact. energy: 0.682 local terms energy: -351.143618 where: bonds (distance) C4'-P energy: -82.058 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -95.884 flat angles P-C4'-P energy: -50.376 tors. eta vs tors. theta energy: -39.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -760.981198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.981198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.981198 (E_RNA) where: Base-Base interactions energy: -438.197 where: short stacking energy: -216.714 Base-Backbone interact. energy: 0.868 local terms energy: -323.652279 where: bonds (distance) C4'-P energy: -73.104 bonds (distance) P-C4' energy: -86.345 flat angles C4'-P-C4' energy: -78.675 flat angles P-C4'-P energy: -55.842 tors. eta vs tors. theta energy: -29.686 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: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -538.705242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.705242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.705242 (E_RNA) where: Base-Base interactions energy: -282.698 where: short stacking energy: -155.116 Base-Backbone interact. energy: 1.043 local terms energy: -257.049915 where: bonds (distance) C4'-P energy: -74.996 bonds (distance) P-C4' energy: -58.338 flat angles C4'-P-C4' energy: -86.052 flat angles P-C4'-P energy: -45.566 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: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -397.950783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.950783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.950783 (E_RNA) where: Base-Base interactions energy: -152.157 where: short stacking energy: -128.683 Base-Backbone interact. energy: 2.394 local terms energy: -248.187335 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -62.499 flat angles P-C4'-P energy: -31.971 tors. eta vs tors. theta energy: 6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1537.456610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.456610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.456610 (E_RNA) where: Base-Base interactions energy: -1033.958 where: short stacking energy: -480.455 Base-Backbone interact. energy: -0.487 local terms energy: -503.011768 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -93.605 flat angles C4'-P-C4' energy: -105.650 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -142.707 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1457.025452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.025452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.025452 (E_RNA) where: Base-Base interactions energy: -943.963 where: short stacking energy: -452.428 Base-Backbone interact. energy: -2.609 local terms energy: -510.453456 where: bonds (distance) C4'-P energy: -96.029 bonds (distance) P-C4' energy: -102.136 flat angles C4'-P-C4' energy: -109.040 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -143.051 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: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1340.290545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.290545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.290545 (E_RNA) where: Base-Base interactions energy: -859.168 where: short stacking energy: -405.411 Base-Backbone interact. energy: -1.822 local terms energy: -479.300441 where: bonds (distance) C4'-P energy: -88.672 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -92.109 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -128.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1200.222659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.222659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.222659 (E_RNA) where: Base-Base interactions energy: -755.803 where: short stacking energy: -357.423 Base-Backbone interact. energy: -2.526 local terms energy: -441.893076 where: bonds (distance) C4'-P energy: -94.682 bonds (distance) P-C4' energy: -104.228 flat angles C4'-P-C4' energy: -89.968 flat angles P-C4'-P energy: -58.330 tors. eta vs tors. theta energy: -94.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1084.734747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.734747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.734747 (E_RNA) where: Base-Base interactions energy: -663.190 where: short stacking energy: -309.863 Base-Backbone interact. energy: -0.944 local terms energy: -420.600500 where: bonds (distance) C4'-P energy: -87.398 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -86.976 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: -85.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -943.416220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.416220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.416220 (E_RNA) where: Base-Base interactions energy: -558.116 where: short stacking energy: -263.523 Base-Backbone interact. energy: -0.991 local terms energy: -384.308864 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -97.259 flat angles C4'-P-C4' energy: -80.614 flat angles P-C4'-P energy: -55.867 tors. eta vs tors. theta energy: -65.223 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: 265 Temperature: 1.200000 Total energy: -839.234238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.234238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.234238 (E_RNA) where: Base-Base interactions energy: -502.450 where: short stacking energy: -260.218 Base-Backbone interact. energy: 0.922 local terms energy: -337.707040 where: bonds (distance) C4'-P energy: -69.885 bonds (distance) P-C4' energy: -91.263 flat angles C4'-P-C4' energy: -80.774 flat angles P-C4'-P energy: -63.780 tors. eta vs tors. theta energy: -32.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -760.494168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.494168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.494168 (E_RNA) where: Base-Base interactions energy: -444.131 where: short stacking energy: -225.028 Base-Backbone interact. energy: -2.298 local terms energy: -314.064908 where: bonds (distance) C4'-P energy: -77.911 bonds (distance) P-C4' energy: -78.296 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -54.172 tors. eta vs tors. theta energy: -37.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -545.738225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.738225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.738225 (E_RNA) where: Base-Base interactions energy: -253.642 where: short stacking energy: -147.320 Base-Backbone interact. energy: -3.030 local terms energy: -289.066550 where: bonds (distance) C4'-P energy: -78.759 bonds (distance) P-C4' energy: -96.583 flat angles C4'-P-C4' energy: -66.059 flat angles P-C4'-P energy: -45.872 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -376.079035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.079035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.079035 (E_RNA) where: Base-Base interactions energy: -113.066 where: short stacking energy: -94.106 Base-Backbone interact. energy: -3.748 local terms energy: -259.265148 where: bonds (distance) C4'-P energy: -90.949 bonds (distance) P-C4' energy: -76.002 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -46.665 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1541.922865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.922865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.922865 (E_RNA) where: Base-Base interactions energy: -1044.914 where: short stacking energy: -456.705 Base-Backbone interact. energy: -1.599 local terms energy: -495.410242 where: bonds (distance) C4'-P energy: -83.528 bonds (distance) P-C4' energy: -95.977 flat angles C4'-P-C4' energy: -110.688 flat angles P-C4'-P energy: -74.409 tors. eta vs tors. theta energy: -130.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1492.668319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.668319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.668319 (E_RNA) where: Base-Base interactions energy: -1000.567 where: short stacking energy: -462.523 Base-Backbone interact. energy: 0.460 local terms energy: -492.561607 where: bonds (distance) C4'-P energy: -99.762 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -139.023 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: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1323.259063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.259063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.259063 (E_RNA) where: Base-Base interactions energy: -843.930 where: short stacking energy: -408.788 Base-Backbone interact. energy: 1.689 local terms energy: -481.018758 where: bonds (distance) C4'-P energy: -87.430 bonds (distance) P-C4' energy: -95.687 flat angles C4'-P-C4' energy: -100.742 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -121.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1219.805119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.805119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.805119 (E_RNA) where: Base-Base interactions energy: -797.657 where: short stacking energy: -365.206 Base-Backbone interact. energy: -1.327 local terms energy: -420.820883 where: bonds (distance) C4'-P energy: -73.965 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -73.307 tors. eta vs tors. theta energy: -96.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1098.017741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.017741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.017741 (E_RNA) where: Base-Base interactions energy: -691.885 where: short stacking energy: -339.890 Base-Backbone interact. energy: 0.828 local terms energy: -406.960557 where: bonds (distance) C4'-P energy: -90.250 bonds (distance) P-C4' energy: -66.973 flat angles C4'-P-C4' energy: -110.894 flat angles P-C4'-P energy: -41.393 tors. eta vs tors. theta energy: -97.451 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: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -934.185783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.185783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.185783 (E_RNA) where: Base-Base interactions energy: -568.398 where: short stacking energy: -298.329 Base-Backbone interact. energy: -0.284 local terms energy: -365.503701 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -97.075 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -69.549 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: 7, replica: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -837.246856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.246856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.246856 (E_RNA) where: Base-Base interactions energy: -466.820 where: short stacking energy: -229.788 Base-Backbone interact. energy: -0.427 local terms energy: -370.000215 where: bonds (distance) C4'-P energy: -81.816 bonds (distance) P-C4' energy: -90.930 flat angles C4'-P-C4' energy: -77.092 flat angles P-C4'-P energy: -70.346 tors. eta vs tors. theta energy: -49.816 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: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -796.458005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.458005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.458005 (E_RNA) where: Base-Base interactions energy: -458.043 where: short stacking energy: -234.753 Base-Backbone interact. energy: -1.318 local terms energy: -337.097300 where: bonds (distance) C4'-P energy: -90.352 bonds (distance) P-C4' energy: -77.093 flat angles C4'-P-C4' energy: -77.295 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -45.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -575.823738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.823738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.823738 (E_RNA) where: Base-Base interactions energy: -294.576 where: short stacking energy: -162.451 Base-Backbone interact. energy: -1.077 local terms energy: -280.170472 where: bonds (distance) C4'-P energy: -64.220 bonds (distance) P-C4' energy: -89.597 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: -16.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -386.920900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.920900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.920900 (E_RNA) where: Base-Base interactions energy: -137.046 where: short stacking energy: -110.482 Base-Backbone interact. energy: -0.093 local terms energy: -249.782252 where: bonds (distance) C4'-P energy: -85.118 bonds (distance) P-C4' energy: -67.328 flat angles C4'-P-C4' energy: -53.812 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1528.349786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.349786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.349786 (E_RNA) where: Base-Base interactions energy: -1024.380 where: short stacking energy: -447.696 Base-Backbone interact. energy: 1.306 local terms energy: -505.275835 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -99.513 flat angles C4'-P-C4' energy: -107.875 flat angles P-C4'-P energy: -74.487 tors. eta vs tors. theta energy: -127.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1484.631566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.631566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.631566 (E_RNA) where: Base-Base interactions energy: -994.962 where: short stacking energy: -454.673 Base-Backbone interact. energy: -1.824 local terms energy: -487.845748 where: bonds (distance) C4'-P energy: -88.395 bonds (distance) P-C4' energy: -93.987 flat angles C4'-P-C4' energy: -110.488 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -129.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1336.657028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.657028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.657028 (E_RNA) where: Base-Base interactions energy: -867.937 where: short stacking energy: -408.776 Base-Backbone interact. energy: -1.876 local terms energy: -466.844592 where: bonds (distance) C4'-P energy: -86.352 bonds (distance) P-C4' energy: -99.881 flat angles C4'-P-C4' energy: -95.489 flat angles P-C4'-P energy: -75.133 tors. eta vs tors. theta energy: -109.990 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: 5 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1212.771566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.771566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.771566 (E_RNA) where: Base-Base interactions energy: -781.280 where: short stacking energy: -371.132 Base-Backbone interact. energy: 5.582 local terms energy: -437.073754 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -90.724 flat angles C4'-P-C4' energy: -100.538 flat angles P-C4'-P energy: -58.241 tors. eta vs tors. theta energy: -97.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1099.973497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.973497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.973497 (E_RNA) where: Base-Base interactions energy: -708.314 where: short stacking energy: -306.117 Base-Backbone interact. energy: -1.257 local terms energy: -390.401931 where: bonds (distance) C4'-P energy: -73.230 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -94.219 flat angles P-C4'-P energy: -53.556 tors. eta vs tors. theta energy: -83.962 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: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -898.643208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.643208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.643208 (E_RNA) where: Base-Base interactions energy: -535.443 where: short stacking energy: -278.202 Base-Backbone interact. energy: -1.051 local terms energy: -362.149075 where: bonds (distance) C4'-P energy: -74.412 bonds (distance) P-C4' energy: -87.486 flat angles C4'-P-C4' energy: -87.920 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -59.245 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: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -872.499210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.499210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.499210 (E_RNA) where: Base-Base interactions energy: -535.323 where: short stacking energy: -253.113 Base-Backbone interact. energy: -1.067 local terms energy: -336.109353 where: bonds (distance) C4'-P energy: -76.199 bonds (distance) P-C4' energy: -71.909 flat angles C4'-P-C4' energy: -83.512 flat angles P-C4'-P energy: -58.691 tors. eta vs tors. theta energy: -45.797 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: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -710.859304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.859304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.859304 (E_RNA) where: Base-Base interactions energy: -404.781 where: short stacking energy: -208.545 Base-Backbone interact. energy: 2.117 local terms energy: -308.195028 where: bonds (distance) C4'-P energy: -75.826 bonds (distance) P-C4' energy: -83.505 flat angles C4'-P-C4' energy: -74.557 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -29.317 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: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -622.949612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.949612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.949612 (E_RNA) where: Base-Base interactions energy: -336.205 where: short stacking energy: -193.392 Base-Backbone interact. energy: -0.365 local terms energy: -286.380301 where: bonds (distance) C4'-P energy: -72.517 bonds (distance) P-C4' energy: -96.864 flat angles C4'-P-C4' energy: -40.448 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -28.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -384.467138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.467138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.467138 (E_RNA) where: Base-Base interactions energy: -116.480 where: short stacking energy: -107.353 Base-Backbone interact. energy: 3.620 local terms energy: -271.606663 where: bonds (distance) C4'-P energy: -75.680 bonds (distance) P-C4' energy: -93.557 flat angles C4'-P-C4' energy: -83.647 flat angles P-C4'-P energy: -22.941 tors. eta vs tors. theta energy: 4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1524.446576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.446576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.446576 (E_RNA) where: Base-Base interactions energy: -1005.533 where: short stacking energy: -471.683 Base-Backbone interact. energy: 0.380 local terms energy: -519.293868 where: bonds (distance) C4'-P energy: -87.158 bonds (distance) P-C4' energy: -104.921 flat angles C4'-P-C4' energy: -117.725 flat angles P-C4'-P energy: -68.935 tors. eta vs tors. theta energy: -140.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1462.399669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.399669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.399669 (E_RNA) where: Base-Base interactions energy: -982.645 where: short stacking energy: -433.587 Base-Backbone interact. energy: -1.711 local terms energy: -478.043785 where: bonds (distance) C4'-P energy: -88.671 bonds (distance) P-C4' energy: -91.208 flat angles C4'-P-C4' energy: -104.486 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -120.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1319.656624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.656624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.656624 (E_RNA) where: Base-Base interactions energy: -869.704 where: short stacking energy: -391.683 Base-Backbone interact. energy: 1.263 local terms energy: -451.216026 where: bonds (distance) C4'-P energy: -96.790 bonds (distance) P-C4' energy: -97.625 flat angles C4'-P-C4' energy: -98.377 flat angles P-C4'-P energy: -44.586 tors. eta vs tors. theta energy: -113.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1208.167908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.167908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.167908 (E_RNA) where: Base-Base interactions energy: -788.799 where: short stacking energy: -363.138 Base-Backbone interact. energy: -1.046 local terms energy: -418.322288 where: bonds (distance) C4'-P energy: -88.015 bonds (distance) P-C4' energy: -89.970 flat angles C4'-P-C4' energy: -90.076 flat angles P-C4'-P energy: -52.821 tors. eta vs tors. theta energy: -97.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1104.264751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.264751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.264751 (E_RNA) where: Base-Base interactions energy: -695.499 where: short stacking energy: -320.037 Base-Backbone interact. energy: -2.523 local terms energy: -406.242487 where: bonds (distance) C4'-P energy: -84.896 bonds (distance) P-C4' energy: -85.613 flat angles C4'-P-C4' energy: -95.947 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -84.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -928.841283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.841283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.841283 (E_RNA) where: Base-Base interactions energy: -561.107 where: short stacking energy: -282.702 Base-Backbone interact. energy: -2.007 local terms energy: -365.727142 where: bonds (distance) C4'-P energy: -75.740 bonds (distance) P-C4' energy: -80.115 flat angles C4'-P-C4' energy: -86.999 flat angles P-C4'-P energy: -61.740 tors. eta vs tors. theta energy: -61.134 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: 268 Temperature: 1.200000 Total energy: -866.800199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.800199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.800199 (E_RNA) where: Base-Base interactions energy: -511.214 where: short stacking energy: -267.710 Base-Backbone interact. energy: 0.577 local terms energy: -356.163188 where: bonds (distance) C4'-P energy: -89.656 bonds (distance) P-C4' energy: -64.800 flat angles C4'-P-C4' energy: -82.264 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -54.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -742.264812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.264812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.264812 (E_RNA) where: Base-Base interactions energy: -426.112 where: short stacking energy: -209.562 Base-Backbone interact. energy: -0.536 local terms energy: -315.616581 where: bonds (distance) C4'-P energy: -78.924 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -57.366 tors. eta vs tors. theta energy: -27.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -638.882995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.882995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.882995 (E_RNA) where: Base-Base interactions energy: -356.128 where: short stacking energy: -200.248 Base-Backbone interact. energy: -1.220 local terms energy: -281.534173 where: bonds (distance) C4'-P energy: -52.388 bonds (distance) P-C4' energy: -77.048 flat angles C4'-P-C4' energy: -72.333 flat angles P-C4'-P energy: -47.993 tors. eta vs tors. theta energy: -31.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -378.157485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.157485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.157485 (E_RNA) where: Base-Base interactions energy: -127.699 where: short stacking energy: -112.863 Base-Backbone interact. energy: 0.775 local terms energy: -251.232768 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -69.855 flat angles C4'-P-C4' energy: -68.873 flat angles P-C4'-P energy: -58.701 tors. eta vs tors. theta energy: 6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1525.960526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.960526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.960526 (E_RNA) where: Base-Base interactions energy: -1018.208 where: short stacking energy: -495.701 Base-Backbone interact. energy: -1.672 local terms energy: -506.080053 where: bonds (distance) C4'-P energy: -97.831 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -102.321 flat angles P-C4'-P energy: -66.545 tors. eta vs tors. theta energy: -136.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1465.982384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.982384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.982384 (E_RNA) where: Base-Base interactions energy: -979.551 where: short stacking energy: -415.462 Base-Backbone interact. energy: -2.392 local terms energy: -484.039125 where: bonds (distance) C4'-P energy: -96.228 bonds (distance) P-C4' energy: -97.410 flat angles C4'-P-C4' energy: -100.940 flat angles P-C4'-P energy: -67.336 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: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1321.856338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.856338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.856338 (E_RNA) where: Base-Base interactions energy: -867.265 where: short stacking energy: -417.977 Base-Backbone interact. energy: -1.325 local terms energy: -453.266284 where: bonds (distance) C4'-P energy: -84.106 bonds (distance) P-C4' energy: -90.380 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -120.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1229.745406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.745406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.745406 (E_RNA) where: Base-Base interactions energy: -805.581 where: short stacking energy: -367.245 Base-Backbone interact. energy: 0.127 local terms energy: -424.291270 where: bonds (distance) C4'-P energy: -83.344 bonds (distance) P-C4' energy: -96.829 flat angles C4'-P-C4' energy: -86.328 flat angles P-C4'-P energy: -64.440 tors. eta vs tors. theta energy: -93.349 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: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1083.626820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.626820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.626820 (E_RNA) where: Base-Base interactions energy: -716.574 where: short stacking energy: -343.516 Base-Backbone interact. energy: -2.320 local terms energy: -364.732722 where: bonds (distance) C4'-P energy: -68.116 bonds (distance) P-C4' energy: -64.333 flat angles C4'-P-C4' energy: -87.148 flat angles P-C4'-P energy: -61.728 tors. eta vs tors. theta energy: -83.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -932.601008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.601008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.601008 (E_RNA) where: Base-Base interactions energy: -565.492 where: short stacking energy: -285.575 Base-Backbone interact. energy: 0.950 local terms energy: -368.058719 where: bonds (distance) C4'-P energy: -87.736 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -94.592 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -60.017 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: 269 Temperature: 1.200000 Total energy: -833.006151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.006151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.006151 (E_RNA) where: Base-Base interactions energy: -489.046 where: short stacking energy: -236.238 Base-Backbone interact. energy: 0.729 local terms energy: -344.688734 where: bonds (distance) C4'-P energy: -88.007 bonds (distance) P-C4' energy: -85.734 flat angles C4'-P-C4' energy: -73.726 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -47.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -720.420909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.420909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.420909 (E_RNA) where: Base-Base interactions energy: -393.044 where: short stacking energy: -184.826 Base-Backbone interact. energy: 0.903 local terms energy: -328.279839 where: bonds (distance) C4'-P energy: -92.782 bonds (distance) P-C4' energy: -89.040 flat angles C4'-P-C4' energy: -81.928 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -13.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -610.091301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.091301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.091301 (E_RNA) where: Base-Base interactions energy: -346.125 where: short stacking energy: -175.740 Base-Backbone interact. energy: 2.150 local terms energy: -266.116503 where: bonds (distance) C4'-P energy: -71.570 bonds (distance) P-C4' energy: -79.623 flat angles C4'-P-C4' energy: -62.631 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -396.814580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.814580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.814580 (E_RNA) where: Base-Base interactions energy: -135.052 where: short stacking energy: -99.459 Base-Backbone interact. energy: 5.830 local terms energy: -267.592829 where: bonds (distance) C4'-P energy: -86.662 bonds (distance) P-C4' energy: -84.800 flat angles C4'-P-C4' energy: -55.455 flat angles P-C4'-P energy: -60.597 tors. eta vs tors. theta energy: 19.921 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: 270 Temperature: 0.900000 Total energy: -1552.126135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.126135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.126135 (E_RNA) where: Base-Base interactions energy: -1024.552 where: short stacking energy: -468.551 Base-Backbone interact. energy: -0.308 local terms energy: -527.266251 where: bonds (distance) C4'-P energy: -90.728 bonds (distance) P-C4' energy: -102.813 flat angles C4'-P-C4' energy: -119.171 flat angles P-C4'-P energy: -69.891 tors. eta vs tors. theta energy: -144.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1480.969641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.969641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.969641 (E_RNA) where: Base-Base interactions energy: -998.869 where: short stacking energy: -439.083 Base-Backbone interact. energy: -0.712 local terms energy: -481.388233 where: bonds (distance) C4'-P energy: -91.889 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -101.905 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -118.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1346.876983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.876983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.876983 (E_RNA) where: Base-Base interactions energy: -884.095 where: short stacking energy: -423.283 Base-Backbone interact. energy: 1.714 local terms energy: -464.496556 where: bonds (distance) C4'-P energy: -84.157 bonds (distance) P-C4' energy: -83.652 flat angles C4'-P-C4' energy: -98.467 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -120.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1220.640978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.640978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.640978 (E_RNA) where: Base-Base interactions energy: -783.915 where: short stacking energy: -381.189 Base-Backbone interact. energy: -1.131 local terms energy: -435.594579 where: bonds (distance) C4'-P energy: -95.027 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -53.554 tors. eta vs tors. theta energy: -103.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1085.701625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.701625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.701625 (E_RNA) where: Base-Base interactions energy: -683.508 where: short stacking energy: -312.569 Base-Backbone interact. energy: -1.595 local terms energy: -400.599011 where: bonds (distance) C4'-P energy: -89.774 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -103.443 flat angles P-C4'-P energy: -44.883 tors. eta vs tors. theta energy: -73.411 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: 6, replica: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -930.297077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.297077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.297077 (E_RNA) where: Base-Base interactions energy: -544.785 where: short stacking energy: -282.721 Base-Backbone interact. energy: -2.208 local terms energy: -383.304186 where: bonds (distance) C4'-P energy: -79.696 bonds (distance) P-C4' energy: -75.055 flat angles C4'-P-C4' energy: -105.336 flat angles P-C4'-P energy: -56.506 tors. eta vs tors. theta energy: -66.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -887.303900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.303900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.303900 (E_RNA) where: Base-Base interactions energy: -528.217 where: short stacking energy: -268.704 Base-Backbone interact. energy: 1.925 local terms energy: -361.012100 where: bonds (distance) C4'-P energy: -78.696 bonds (distance) P-C4' energy: -92.610 flat angles C4'-P-C4' energy: -78.397 flat angles P-C4'-P energy: -49.608 tors. eta vs tors. theta energy: -61.700 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: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -734.989840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.989840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.989840 (E_RNA) where: Base-Base interactions energy: -408.842 where: short stacking energy: -208.132 Base-Backbone interact. energy: -1.270 local terms energy: -324.877885 where: bonds (distance) C4'-P energy: -79.071 bonds (distance) P-C4' energy: -85.628 flat angles C4'-P-C4' energy: -72.193 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -25.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -590.764042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.764042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.764042 (E_RNA) where: Base-Base interactions energy: -308.103 where: short stacking energy: -161.041 Base-Backbone interact. energy: 1.537 local terms energy: -284.198380 where: bonds (distance) C4'-P energy: -83.936 bonds (distance) P-C4' energy: -78.197 flat angles C4'-P-C4' energy: -84.167 flat angles P-C4'-P energy: -36.942 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -373.531487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.531487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.531487 (E_RNA) where: Base-Base interactions energy: -102.099 where: short stacking energy: -75.997 Base-Backbone interact. energy: 5.983 local terms energy: -277.415526 where: bonds (distance) C4'-P energy: -83.925 bonds (distance) P-C4' energy: -100.929 flat angles C4'-P-C4' energy: -75.675 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: 28.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1545.302565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.302565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.302565 (E_RNA) where: Base-Base interactions energy: -1025.612 where: short stacking energy: -485.642 Base-Backbone interact. energy: -3.024 local terms energy: -516.666219 where: bonds (distance) C4'-P energy: -91.465 bonds (distance) P-C4' energy: -89.079 flat angles C4'-P-C4' energy: -114.299 flat angles P-C4'-P energy: -76.547 tors. eta vs tors. theta energy: -145.276 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: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1487.731929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.731929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.731929 (E_RNA) where: Base-Base interactions energy: -1008.094 where: short stacking energy: -456.612 Base-Backbone interact. energy: -2.277 local terms energy: -477.360578 where: bonds (distance) C4'-P energy: -86.977 bonds (distance) P-C4' energy: -81.384 flat angles C4'-P-C4' energy: -100.502 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -130.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1347.210846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.210846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.210846 (E_RNA) where: Base-Base interactions energy: -883.319 where: short stacking energy: -419.923 Base-Backbone interact. energy: -0.308 local terms energy: -463.583982 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -106.878 flat angles C4'-P-C4' energy: -91.740 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -123.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1215.825726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.825726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.825726 (E_RNA) where: Base-Base interactions energy: -805.551 where: short stacking energy: -373.636 Base-Backbone interact. energy: -1.544 local terms energy: -408.731571 where: bonds (distance) C4'-P energy: -76.382 bonds (distance) P-C4' energy: -99.420 flat angles C4'-P-C4' energy: -84.331 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: -96.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1085.649722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.649722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.649722 (E_RNA) where: Base-Base interactions energy: -684.043 where: short stacking energy: -329.922 Base-Backbone interact. energy: -2.620 local terms energy: -398.986628 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -85.384 flat angles C4'-P-C4' energy: -95.439 flat angles P-C4'-P energy: -55.302 tors. eta vs tors. theta energy: -73.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -920.896257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.896257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.896257 (E_RNA) where: Base-Base interactions energy: -533.744 where: short stacking energy: -273.703 Base-Backbone interact. energy: -0.250 local terms energy: -386.902232 where: bonds (distance) C4'-P energy: -83.926 bonds (distance) P-C4' energy: -92.907 flat angles C4'-P-C4' energy: -91.292 flat angles P-C4'-P energy: -59.857 tors. eta vs tors. theta energy: -58.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -834.435954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.435954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.435954 (E_RNA) where: Base-Base interactions energy: -510.669 where: short stacking energy: -223.930 Base-Backbone interact. energy: -3.164 local terms energy: -320.602916 where: bonds (distance) C4'-P energy: -80.154 bonds (distance) P-C4' energy: -78.272 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -43.842 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: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -728.573754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.573754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.573754 (E_RNA) where: Base-Base interactions energy: -417.646 where: short stacking energy: -211.852 Base-Backbone interact. energy: 0.003 local terms energy: -310.930638 where: bonds (distance) C4'-P energy: -77.414 bonds (distance) P-C4' energy: -96.442 flat angles C4'-P-C4' energy: -71.708 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -24.121 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: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -573.477546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.477546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.477546 (E_RNA) where: Base-Base interactions energy: -283.955 where: short stacking energy: -165.148 Base-Backbone interact. energy: 0.677 local terms energy: -290.200064 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -87.753 flat angles C4'-P-C4' energy: -76.428 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -14.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -371.540500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.540500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.540500 (E_RNA) where: Base-Base interactions energy: -118.180 where: short stacking energy: -96.097 Base-Backbone interact. energy: -1.115 local terms energy: -252.245730 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -84.722 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: 14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1522.174326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.174326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.174326 (E_RNA) where: Base-Base interactions energy: -1002.233 where: short stacking energy: -471.462 Base-Backbone interact. energy: -1.520 local terms energy: -518.420489 where: bonds (distance) C4'-P energy: -100.104 bonds (distance) P-C4' energy: -97.301 flat angles C4'-P-C4' energy: -108.363 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -149.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1487.566918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.566918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.566918 (E_RNA) where: Base-Base interactions energy: -1017.751 where: short stacking energy: -426.070 Base-Backbone interact. energy: 0.359 local terms energy: -470.174933 where: bonds (distance) C4'-P energy: -87.057 bonds (distance) P-C4' energy: -92.660 flat angles C4'-P-C4' energy: -105.322 flat angles P-C4'-P energy: -70.936 tors. eta vs tors. theta energy: -114.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1344.909825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.909825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.909825 (E_RNA) where: Base-Base interactions energy: -863.132 where: short stacking energy: -407.982 Base-Backbone interact. energy: 0.866 local terms energy: -482.643715 where: bonds (distance) C4'-P energy: -95.486 bonds (distance) P-C4' energy: -96.354 flat angles C4'-P-C4' energy: -105.808 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -127.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1261.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.351769 (E_RNA) where: Base-Base interactions energy: -816.153 where: short stacking energy: -389.836 Base-Backbone interact. energy: -0.171 local terms energy: -445.027408 where: bonds (distance) C4'-P energy: -85.732 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -82.614 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -108.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1086.333374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.333374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.333374 (E_RNA) where: Base-Base interactions energy: -656.145 where: short stacking energy: -318.164 Base-Backbone interact. energy: -2.052 local terms energy: -428.136725 where: bonds (distance) C4'-P energy: -90.259 bonds (distance) P-C4' energy: -100.384 flat angles C4'-P-C4' energy: -95.794 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -82.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -980.563026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.563026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.563026 (E_RNA) where: Base-Base interactions energy: -599.300 where: short stacking energy: -278.389 Base-Backbone interact. energy: -2.468 local terms energy: -378.795411 where: bonds (distance) C4'-P energy: -79.848 bonds (distance) P-C4' energy: -92.804 flat angles C4'-P-C4' energy: -85.925 flat angles P-C4'-P energy: -51.326 tors. eta vs tors. theta energy: -68.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -787.958186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.958186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.958186 (E_RNA) where: Base-Base interactions energy: -460.048 where: short stacking energy: -241.971 Base-Backbone interact. energy: 0.624 local terms energy: -328.534418 where: bonds (distance) C4'-P energy: -75.497 bonds (distance) P-C4' energy: -77.794 flat angles C4'-P-C4' energy: -91.226 flat angles P-C4'-P energy: -42.992 tors. eta vs tors. theta energy: -41.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -740.249135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.249135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.249135 (E_RNA) where: Base-Base interactions energy: -428.444 where: short stacking energy: -215.959 Base-Backbone interact. energy: -1.665 local terms energy: -310.140291 where: bonds (distance) C4'-P energy: -77.568 bonds (distance) P-C4' energy: -78.017 flat angles C4'-P-C4' energy: -70.279 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -37.290 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: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -591.323077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.323077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.323077 (E_RNA) where: Base-Base interactions energy: -318.689 where: short stacking energy: -169.512 Base-Backbone interact. energy: -1.560 local terms energy: -271.074438 where: bonds (distance) C4'-P energy: -66.200 bonds (distance) P-C4' energy: -80.190 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -359.812777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.812777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.812777 (E_RNA) where: Base-Base interactions energy: -103.187 where: short stacking energy: -88.027 Base-Backbone interact. energy: 0.483 local terms energy: -257.108696 where: bonds (distance) C4'-P energy: -75.812 bonds (distance) P-C4' energy: -83.232 flat angles C4'-P-C4' energy: -75.377 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: 24.360 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: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1519.466995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.466995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.466995 (E_RNA) where: Base-Base interactions energy: -998.719 where: short stacking energy: -454.913 Base-Backbone interact. energy: -1.311 local terms energy: -519.437468 where: bonds (distance) C4'-P energy: -96.540 bonds (distance) P-C4' energy: -94.720 flat angles C4'-P-C4' energy: -113.088 flat angles P-C4'-P energy: -75.463 tors. eta vs tors. theta energy: -139.626 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: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1488.044982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.044982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.044982 (E_RNA) where: Base-Base interactions energy: -1006.455 where: short stacking energy: -446.701 Base-Backbone interact. energy: -3.514 local terms energy: -478.075884 where: bonds (distance) C4'-P energy: -95.750 bonds (distance) P-C4' energy: -98.989 flat angles C4'-P-C4' energy: -100.388 flat angles P-C4'-P energy: -61.412 tors. eta vs tors. theta energy: -121.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1351.240792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.240792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.240792 (E_RNA) where: Base-Base interactions energy: -868.914 where: short stacking energy: -413.620 Base-Backbone interact. energy: -0.419 local terms energy: -481.907965 where: bonds (distance) C4'-P energy: -94.944 bonds (distance) P-C4' energy: -97.551 flat angles C4'-P-C4' energy: -98.889 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -125.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1239.177717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.177717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.177717 (E_RNA) where: Base-Base interactions energy: -805.500 where: short stacking energy: -375.797 Base-Backbone interact. energy: -1.693 local terms energy: -431.985229 where: bonds (distance) C4'-P energy: -89.073 bonds (distance) P-C4' energy: -91.491 flat angles C4'-P-C4' energy: -95.529 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -106.633 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: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1044.843354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.843354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.843354 (E_RNA) where: Base-Base interactions energy: -652.742 where: short stacking energy: -319.847 Base-Backbone interact. energy: -0.122 local terms energy: -391.978824 where: bonds (distance) C4'-P energy: -93.121 bonds (distance) P-C4' energy: -81.263 flat angles C4'-P-C4' energy: -84.643 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -73.903 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: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -994.217733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.217733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.217733 (E_RNA) where: Base-Base interactions energy: -599.433 where: short stacking energy: -303.093 Base-Backbone interact. energy: -1.038 local terms energy: -393.746310 where: bonds (distance) C4'-P energy: -73.808 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -96.046 flat angles P-C4'-P energy: -52.231 tors. eta vs tors. theta energy: -74.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -776.115058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.115058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.115058 (E_RNA) where: Base-Base interactions energy: -444.101 where: short stacking energy: -227.067 Base-Backbone interact. energy: -0.341 local terms energy: -331.672886 where: bonds (distance) C4'-P energy: -77.479 bonds (distance) P-C4' energy: -92.849 flat angles C4'-P-C4' energy: -75.454 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -30.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -729.052519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.052519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.052519 (E_RNA) where: Base-Base interactions energy: -422.035 where: short stacking energy: -215.540 Base-Backbone interact. energy: -1.846 local terms energy: -305.170733 where: bonds (distance) C4'-P energy: -75.440 bonds (distance) P-C4' energy: -76.849 flat angles C4'-P-C4' energy: -84.384 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -29.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -621.434463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.434463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.434463 (E_RNA) where: Base-Base interactions energy: -336.667 where: short stacking energy: -157.824 Base-Backbone interact. energy: 5.287 local terms energy: -290.054135 where: bonds (distance) C4'-P energy: -73.637 bonds (distance) P-C4' energy: -80.567 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -41.114 tors. eta vs tors. theta energy: -9.179 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -382.599146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.599146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.599146 (E_RNA) where: Base-Base interactions energy: -128.775 where: short stacking energy: -101.573 Base-Backbone interact. energy: -1.934 local terms energy: -251.889576 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -76.520 flat angles C4'-P-C4' energy: -66.385 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: 23.434 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: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1550.675695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.675695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.675695 (E_RNA) where: Base-Base interactions energy: -1035.611 where: short stacking energy: -467.363 Base-Backbone interact. energy: 3.472 local terms energy: -518.536377 where: bonds (distance) C4'-P energy: -84.726 bonds (distance) P-C4' energy: -112.571 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -146.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1482.006050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.006050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.006050 (E_RNA) where: Base-Base interactions energy: -1012.135 where: short stacking energy: -441.126 Base-Backbone interact. energy: -1.087 local terms energy: -468.784170 where: bonds (distance) C4'-P energy: -89.769 bonds (distance) P-C4' energy: -89.957 flat angles C4'-P-C4' energy: -105.755 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -120.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1334.514985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.514985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.514985 (E_RNA) where: Base-Base interactions energy: -886.717 where: short stacking energy: -405.999 Base-Backbone interact. energy: -0.704 local terms energy: -447.094015 where: bonds (distance) C4'-P energy: -97.727 bonds (distance) P-C4' energy: -85.196 flat angles C4'-P-C4' energy: -105.350 flat angles P-C4'-P energy: -60.464 tors. eta vs tors. theta energy: -98.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1185.689441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.689441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.689441 (E_RNA) where: Base-Base interactions energy: -751.773 where: short stacking energy: -371.308 Base-Backbone interact. energy: -1.695 local terms energy: -432.221084 where: bonds (distance) C4'-P energy: -91.425 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -91.824 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -92.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1084.859171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.859171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.859171 (E_RNA) where: Base-Base interactions energy: -690.450 where: short stacking energy: -304.209 Base-Backbone interact. energy: -0.297 local terms energy: -394.111965 where: bonds (distance) C4'-P energy: -77.441 bonds (distance) P-C4' energy: -87.427 flat angles C4'-P-C4' energy: -94.712 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -80.058 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: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -965.090028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.090028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.090028 (E_RNA) where: Base-Base interactions energy: -584.145 where: short stacking energy: -272.926 Base-Backbone interact. energy: 2.209 local terms energy: -383.153981 where: bonds (distance) C4'-P energy: -98.011 bonds (distance) P-C4' energy: -93.944 flat angles C4'-P-C4' energy: -84.455 flat angles P-C4'-P energy: -49.071 tors. eta vs tors. theta energy: -57.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -748.581951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.581951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.581951 (E_RNA) where: Base-Base interactions energy: -409.171 where: short stacking energy: -212.608 Base-Backbone interact. energy: -1.424 local terms energy: -337.987153 where: bonds (distance) C4'-P energy: -93.292 bonds (distance) P-C4' energy: -80.061 flat angles C4'-P-C4' energy: -84.421 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -35.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -716.146931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.146931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.146931 (E_RNA) where: Base-Base interactions energy: -411.679 where: short stacking energy: -197.574 Base-Backbone interact. energy: 0.116 local terms energy: -304.583982 where: bonds (distance) C4'-P energy: -82.498 bonds (distance) P-C4' energy: -79.759 flat angles C4'-P-C4' energy: -70.774 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -19.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -603.772912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.772912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.772912 (E_RNA) where: Base-Base interactions energy: -310.329 where: short stacking energy: -153.231 Base-Backbone interact. energy: 0.469 local terms energy: -293.912470 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -81.621 flat angles C4'-P-C4' energy: -75.707 flat angles P-C4'-P energy: -36.181 tors. eta vs tors. theta energy: -9.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -355.825524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.825524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.825524 (E_RNA) where: Base-Base interactions energy: -127.776 where: short stacking energy: -110.530 Base-Backbone interact. energy: -0.690 local terms energy: -227.359443 where: bonds (distance) C4'-P energy: -62.350 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -59.791 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: 2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1569.057065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.057065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.057065 (E_RNA) where: Base-Base interactions energy: -1045.746 where: short stacking energy: -480.170 Base-Backbone interact. energy: -1.876 local terms energy: -521.435035 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -103.060 flat angles P-C4'-P energy: -77.865 tors. eta vs tors. theta energy: -147.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1499.046281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.046281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.046281 (E_RNA) where: Base-Base interactions energy: -996.971 where: short stacking energy: -437.682 Base-Backbone interact. energy: -0.774 local terms energy: -501.301857 where: bonds (distance) C4'-P energy: -96.605 bonds (distance) P-C4' energy: -100.498 flat angles C4'-P-C4' energy: -95.965 flat angles P-C4'-P energy: -75.895 tors. eta vs tors. theta energy: -132.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1303.629845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.629845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.629845 (E_RNA) where: Base-Base interactions energy: -827.752 where: short stacking energy: -395.200 Base-Backbone interact. energy: -0.447 local terms energy: -475.431176 where: bonds (distance) C4'-P energy: -84.547 bonds (distance) P-C4' energy: -95.605 flat angles C4'-P-C4' energy: -104.842 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -110.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1257.460590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.460590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.460590 (E_RNA) where: Base-Base interactions energy: -825.781 where: short stacking energy: -392.514 Base-Backbone interact. energy: -2.073 local terms energy: -429.606025 where: bonds (distance) C4'-P energy: -93.447 bonds (distance) P-C4' energy: -78.319 flat angles C4'-P-C4' energy: -86.187 flat angles P-C4'-P energy: -67.934 tors. eta vs tors. theta energy: -103.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1073.969225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.969225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.969225 (E_RNA) where: Base-Base interactions energy: -676.616 where: short stacking energy: -354.812 Base-Backbone interact. energy: 0.228 local terms energy: -397.581490 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -83.047 flat angles C4'-P-C4' energy: -90.521 flat angles P-C4'-P energy: -60.003 tors. eta vs tors. theta energy: -82.277 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: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1001.910437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.910437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.910437 (E_RNA) where: Base-Base interactions energy: -613.856 where: short stacking energy: -294.043 Base-Backbone interact. energy: 0.217 local terms energy: -388.271264 where: bonds (distance) C4'-P energy: -87.705 bonds (distance) P-C4' energy: -80.816 flat angles C4'-P-C4' energy: -94.976 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -69.466 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: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -749.132862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.132862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.132862 (E_RNA) where: Base-Base interactions energy: -399.621 where: short stacking energy: -214.269 Base-Backbone interact. energy: -1.128 local terms energy: -348.384354 where: bonds (distance) C4'-P energy: -80.208 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -92.629 flat angles P-C4'-P energy: -39.190 tors. eta vs tors. theta energy: -42.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -738.985147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.985147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.985147 (E_RNA) where: Base-Base interactions energy: -433.219 where: short stacking energy: -224.358 Base-Backbone interact. energy: 0.145 local terms energy: -305.911308 where: bonds (distance) C4'-P energy: -77.121 bonds (distance) P-C4' energy: -87.314 flat angles C4'-P-C4' energy: -81.152 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -22.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -566.829213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.829213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.829213 (E_RNA) where: Base-Base interactions energy: -255.771 where: short stacking energy: -134.116 Base-Backbone interact. energy: -0.308 local terms energy: -310.750233 where: bonds (distance) C4'-P energy: -79.406 bonds (distance) P-C4' energy: -94.812 flat angles C4'-P-C4' energy: -89.234 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: 5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -386.982276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.982276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.982276 (E_RNA) where: Base-Base interactions energy: -105.387 where: short stacking energy: -90.341 Base-Backbone interact. energy: -0.065 local terms energy: -281.531022 where: bonds (distance) C4'-P energy: -70.318 bonds (distance) P-C4' energy: -82.219 flat angles C4'-P-C4' energy: -89.594 flat angles P-C4'-P energy: -65.745 tors. eta vs tors. theta energy: 26.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1543.285580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.285580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.285580 (E_RNA) where: Base-Base interactions energy: -1034.577 where: short stacking energy: -476.081 Base-Backbone interact. energy: 2.892 local terms energy: -511.600465 where: bonds (distance) C4'-P energy: -87.520 bonds (distance) P-C4' energy: -104.420 flat angles C4'-P-C4' energy: -101.869 flat angles P-C4'-P energy: -66.121 tors. eta vs tors. theta energy: -151.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1467.690170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.690170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.690170 (E_RNA) where: Base-Base interactions energy: -981.348 where: short stacking energy: -420.015 Base-Backbone interact. energy: -1.469 local terms energy: -484.873044 where: bonds (distance) C4'-P energy: -95.235 bonds (distance) P-C4' energy: -95.545 flat angles C4'-P-C4' energy: -98.184 flat angles P-C4'-P energy: -75.021 tors. eta vs tors. theta energy: -120.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1313.776480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.776480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.776480 (E_RNA) where: Base-Base interactions energy: -839.382 where: short stacking energy: -394.954 Base-Backbone interact. energy: -1.145 local terms energy: -473.249123 where: bonds (distance) C4'-P energy: -93.910 bonds (distance) P-C4' energy: -90.824 flat angles C4'-P-C4' energy: -99.967 flat angles P-C4'-P energy: -71.120 tors. eta vs tors. theta energy: -117.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1253.328477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.328477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.328477 (E_RNA) where: Base-Base interactions energy: -810.608 where: short stacking energy: -386.844 Base-Backbone interact. energy: -2.315 local terms energy: -440.405802 where: bonds (distance) C4'-P energy: -88.557 bonds (distance) P-C4' energy: -82.350 flat angles C4'-P-C4' energy: -110.354 flat angles P-C4'-P energy: -56.712 tors. eta vs tors. theta energy: -102.433 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: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1017.795745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.795745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.795745 (E_RNA) where: Base-Base interactions energy: -630.340 where: short stacking energy: -300.138 Base-Backbone interact. energy: 2.877 local terms energy: -390.332680 where: bonds (distance) C4'-P energy: -84.067 bonds (distance) P-C4' energy: -91.622 flat angles C4'-P-C4' energy: -77.455 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -73.954 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: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1019.977411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.977411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.977411 (E_RNA) where: Base-Base interactions energy: -628.835 where: short stacking energy: -285.198 Base-Backbone interact. energy: -1.073 local terms energy: -390.069227 where: bonds (distance) C4'-P energy: -74.456 bonds (distance) P-C4' energy: -98.185 flat angles C4'-P-C4' energy: -86.760 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -66.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -783.098045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.098045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.098045 (E_RNA) where: Base-Base interactions energy: -472.831 where: short stacking energy: -233.229 Base-Backbone interact. energy: 0.773 local terms energy: -311.039343 where: bonds (distance) C4'-P energy: -66.592 bonds (distance) P-C4' energy: -77.042 flat angles C4'-P-C4' energy: -76.871 flat angles P-C4'-P energy: -52.300 tors. eta vs tors. theta energy: -38.235 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: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -747.181558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.181558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.181558 (E_RNA) where: Base-Base interactions energy: -428.087 where: short stacking energy: -229.645 Base-Backbone interact. energy: 0.237 local terms energy: -319.330940 where: bonds (distance) C4'-P energy: -78.803 bonds (distance) P-C4' energy: -77.110 flat angles C4'-P-C4' energy: -82.403 flat angles P-C4'-P energy: -32.412 tors. eta vs tors. theta energy: -48.603 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: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -558.667023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.667023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.667023 (E_RNA) where: Base-Base interactions energy: -241.518 where: short stacking energy: -133.113 Base-Backbone interact. energy: -2.473 local terms energy: -314.675513 where: bonds (distance) C4'-P energy: -95.615 bonds (distance) P-C4' energy: -87.570 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -53.149 tors. eta vs tors. theta energy: 7.094 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: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -387.272172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.272172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.272172 (E_RNA) where: Base-Base interactions energy: -106.995 where: short stacking energy: -94.130 Base-Backbone interact. energy: 1.739 local terms energy: -282.015764 where: bonds (distance) C4'-P energy: -71.675 bonds (distance) P-C4' energy: -92.342 flat angles C4'-P-C4' energy: -77.650 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: 2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1524.728604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.728604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.728604 (E_RNA) where: Base-Base interactions energy: -1010.628 where: short stacking energy: -457.587 Base-Backbone interact. energy: 0.008 local terms energy: -514.107751 where: bonds (distance) C4'-P energy: -102.373 bonds (distance) P-C4' energy: -97.653 flat angles C4'-P-C4' energy: -109.005 flat angles P-C4'-P energy: -71.953 tors. eta vs tors. theta energy: -133.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1459.734039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.734039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.734039 (E_RNA) where: Base-Base interactions energy: -969.931 where: short stacking energy: -428.100 Base-Backbone interact. energy: -2.674 local terms energy: -487.128253 where: bonds (distance) C4'-P energy: -85.598 bonds (distance) P-C4' energy: -96.111 flat angles C4'-P-C4' energy: -105.500 flat angles P-C4'-P energy: -81.870 tors. eta vs tors. theta energy: -118.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1323.393532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.393532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.393532 (E_RNA) where: Base-Base interactions energy: -823.471 where: short stacking energy: -393.272 Base-Backbone interact. energy: -2.690 local terms energy: -497.232906 where: bonds (distance) C4'-P energy: -92.754 bonds (distance) P-C4' energy: -106.959 flat angles C4'-P-C4' energy: -98.598 flat angles P-C4'-P energy: -74.428 tors. eta vs tors. theta energy: -124.494 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: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1227.774100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.774100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.774100 (E_RNA) where: Base-Base interactions energy: -791.101 where: short stacking energy: -373.410 Base-Backbone interact. energy: 0.130 local terms energy: -436.803336 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -101.747 flat angles P-C4'-P energy: -60.207 tors. eta vs tors. theta energy: -90.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1016.532937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.532937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.532937 (E_RNA) where: Base-Base interactions energy: -620.398 where: short stacking energy: -314.256 Base-Backbone interact. energy: 6.186 local terms energy: -402.320768 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -96.314 flat angles C4'-P-C4' energy: -95.994 flat angles P-C4'-P energy: -59.879 tors. eta vs tors. theta energy: -71.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1061.848599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.848599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.848599 (E_RNA) where: Base-Base interactions energy: -670.930 where: short stacking energy: -336.330 Base-Backbone interact. energy: -2.264 local terms energy: -388.654810 where: bonds (distance) C4'-P energy: -76.635 bonds (distance) P-C4' energy: -79.912 flat angles C4'-P-C4' energy: -94.784 flat angles P-C4'-P energy: -52.357 tors. eta vs tors. theta energy: -84.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -790.964366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.964366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.964366 (E_RNA) where: Base-Base interactions energy: -452.965 where: short stacking energy: -208.260 Base-Backbone interact. energy: -1.025 local terms energy: -336.974902 where: bonds (distance) C4'-P energy: -80.883 bonds (distance) P-C4' energy: -87.868 flat angles C4'-P-C4' energy: -81.185 flat angles P-C4'-P energy: -61.548 tors. eta vs tors. theta energy: -25.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -720.728579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.728579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.728579 (E_RNA) where: Base-Base interactions energy: -387.450 where: short stacking energy: -199.208 Base-Backbone interact. energy: 1.198 local terms energy: -334.475889 where: bonds (distance) C4'-P energy: -82.985 bonds (distance) P-C4' energy: -80.946 flat angles C4'-P-C4' energy: -74.296 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -33.109 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: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -515.723857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.723857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.723857 (E_RNA) where: Base-Base interactions energy: -240.261 where: short stacking energy: -147.273 Base-Backbone interact. energy: 6.710 local terms energy: -282.172046 where: bonds (distance) C4'-P energy: -78.308 bonds (distance) P-C4' energy: -77.790 flat angles C4'-P-C4' energy: -73.846 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -396.973402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.973402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.973402 (E_RNA) where: Base-Base interactions energy: -132.411 where: short stacking energy: -115.181 Base-Backbone interact. energy: 3.099 local terms energy: -267.661970 where: bonds (distance) C4'-P energy: -76.684 bonds (distance) P-C4' energy: -92.170 flat angles C4'-P-C4' energy: -77.544 flat angles P-C4'-P energy: -28.926 tors. eta vs tors. theta energy: 7.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1496.503547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.503547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.503547 (E_RNA) where: Base-Base interactions energy: -1007.727 where: short stacking energy: -442.905 Base-Backbone interact. energy: -5.843 local terms energy: -482.932844 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -90.365 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: -136.765 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: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1472.068011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.068011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.068011 (E_RNA) where: Base-Base interactions energy: -987.679 where: short stacking energy: -450.245 Base-Backbone interact. energy: -2.043 local terms energy: -482.346943 where: bonds (distance) C4'-P energy: -97.342 bonds (distance) P-C4' energy: -81.696 flat angles C4'-P-C4' energy: -95.367 flat angles P-C4'-P energy: -71.278 tors. eta vs tors. theta energy: -136.664 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: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1299.628874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.628874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.628874 (E_RNA) where: Base-Base interactions energy: -844.444 where: short stacking energy: -402.448 Base-Backbone interact. energy: -1.394 local terms energy: -453.790639 where: bonds (distance) C4'-P energy: -97.652 bonds (distance) P-C4' energy: -82.837 flat angles C4'-P-C4' energy: -102.274 flat angles P-C4'-P energy: -65.630 tors. eta vs tors. theta energy: -105.398 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: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1259.827168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.827168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.827168 (E_RNA) where: Base-Base interactions energy: -815.482 where: short stacking energy: -367.621 Base-Backbone interact. energy: 0.495 local terms energy: -444.840427 where: bonds (distance) C4'-P energy: -100.589 bonds (distance) P-C4' energy: -90.505 flat angles C4'-P-C4' energy: -97.841 flat angles P-C4'-P energy: -63.190 tors. eta vs tors. theta energy: -92.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1041.262011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.262011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.262011 (E_RNA) where: Base-Base interactions energy: -630.441 where: short stacking energy: -326.077 Base-Backbone interact. energy: -0.039 local terms energy: -410.781131 where: bonds (distance) C4'-P energy: -86.828 bonds (distance) P-C4' energy: -89.607 flat angles C4'-P-C4' energy: -86.400 flat angles P-C4'-P energy: -65.296 tors. eta vs tors. theta energy: -82.650 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: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1029.599163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.599163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.599163 (E_RNA) where: Base-Base interactions energy: -661.686 where: short stacking energy: -297.407 Base-Backbone interact. energy: 2.253 local terms energy: -370.166787 where: bonds (distance) C4'-P energy: -87.478 bonds (distance) P-C4' energy: -89.113 flat angles C4'-P-C4' energy: -78.988 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -68.187 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: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -832.539648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.539648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.539648 (E_RNA) where: Base-Base interactions energy: -482.818 where: short stacking energy: -234.353 Base-Backbone interact. energy: -1.937 local terms energy: -347.784416 where: bonds (distance) C4'-P energy: -72.327 bonds (distance) P-C4' energy: -85.176 flat angles C4'-P-C4' energy: -82.318 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -49.703 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: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -705.284981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.284981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.284981 (E_RNA) where: Base-Base interactions energy: -386.404 where: short stacking energy: -207.518 Base-Backbone interact. energy: -2.011 local terms energy: -316.870484 where: bonds (distance) C4'-P energy: -84.726 bonds (distance) P-C4' energy: -81.806 flat angles C4'-P-C4' energy: -78.838 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -25.007 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: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -491.759758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.759758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.759758 (E_RNA) where: Base-Base interactions energy: -217.536 where: short stacking energy: -147.207 Base-Backbone interact. energy: -1.181 local terms energy: -273.042243 where: bonds (distance) C4'-P energy: -70.290 bonds (distance) P-C4' energy: -76.848 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -41.298 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: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -364.193598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.193598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.193598 (E_RNA) where: Base-Base interactions energy: -102.129 where: short stacking energy: -69.366 Base-Backbone interact. energy: 7.424 local terms energy: -269.487900 where: bonds (distance) C4'-P energy: -82.735 bonds (distance) P-C4' energy: -85.131 flat angles C4'-P-C4' energy: -61.222 flat angles P-C4'-P energy: -60.934 tors. eta vs tors. theta energy: 20.534 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: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1481.751119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.751119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.751119 (E_RNA) where: Base-Base interactions energy: -999.884 where: short stacking energy: -441.619 Base-Backbone interact. energy: 1.677 local terms energy: -483.544454 where: bonds (distance) C4'-P energy: -78.103 bonds (distance) P-C4' energy: -95.029 flat angles C4'-P-C4' energy: -105.319 flat angles P-C4'-P energy: -76.014 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: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1487.827595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.827595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.827595 (E_RNA) where: Base-Base interactions energy: -990.992 where: short stacking energy: -455.419 Base-Backbone interact. energy: -2.164 local terms energy: -494.671728 where: bonds (distance) C4'-P energy: -92.658 bonds (distance) P-C4' energy: -89.372 flat angles C4'-P-C4' energy: -105.608 flat angles P-C4'-P energy: -75.137 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: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1276.096242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.096242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.096242 (E_RNA) where: Base-Base interactions energy: -816.096 where: short stacking energy: -393.479 Base-Backbone interact. energy: -1.524 local terms energy: -458.476011 where: bonds (distance) C4'-P energy: -88.751 bonds (distance) P-C4' energy: -95.249 flat angles C4'-P-C4' energy: -110.304 flat angles P-C4'-P energy: -62.029 tors. eta vs tors. theta energy: -102.142 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: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1242.915262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.915262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.915262 (E_RNA) where: Base-Base interactions energy: -798.374 where: short stacking energy: -390.473 Base-Backbone interact. energy: 2.367 local terms energy: -446.907744 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -89.008 flat angles C4'-P-C4' energy: -103.387 flat angles P-C4'-P energy: -65.811 tors. eta vs tors. theta energy: -107.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1005.208179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.208179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.208179 (E_RNA) where: Base-Base interactions energy: -626.500 where: short stacking energy: -318.532 Base-Backbone interact. energy: -0.379 local terms energy: -378.329597 where: bonds (distance) C4'-P energy: -71.378 bonds (distance) P-C4' energy: -86.845 flat angles C4'-P-C4' energy: -88.138 flat angles P-C4'-P energy: -60.766 tors. eta vs tors. theta energy: -71.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1044.092718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.092718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.092718 (E_RNA) where: Base-Base interactions energy: -652.074 where: short stacking energy: -305.845 Base-Backbone interact. energy: 0.100 local terms energy: -392.119429 where: bonds (distance) C4'-P energy: -83.254 bonds (distance) P-C4' energy: -89.441 flat angles C4'-P-C4' energy: -88.975 flat angles P-C4'-P energy: -54.900 tors. eta vs tors. theta energy: -75.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -848.348805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.348805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.348805 (E_RNA) where: Base-Base interactions energy: -524.228 where: short stacking energy: -224.448 Base-Backbone interact. energy: -3.310 local terms energy: -320.811052 where: bonds (distance) C4'-P energy: -71.660 bonds (distance) P-C4' energy: -82.259 flat angles C4'-P-C4' energy: -77.493 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -38.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -737.817240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.817240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.817240 (E_RNA) where: Base-Base interactions energy: -435.434 where: short stacking energy: -218.255 Base-Backbone interact. energy: 1.428 local terms energy: -303.810622 where: bonds (distance) C4'-P energy: -69.731 bonds (distance) P-C4' energy: -81.840 flat angles C4'-P-C4' energy: -64.914 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -43.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -639.862585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.862585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.862585 (E_RNA) where: Base-Base interactions energy: -329.318 where: short stacking energy: -175.523 Base-Backbone interact. energy: -2.602 local terms energy: -307.942477 where: bonds (distance) C4'-P energy: -87.815 bonds (distance) P-C4' energy: -77.673 flat angles C4'-P-C4' energy: -80.207 flat angles P-C4'-P energy: -40.658 tors. eta vs tors. theta energy: -21.590 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: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -394.189021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.189021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.189021 (E_RNA) where: Base-Base interactions energy: -142.150 where: short stacking energy: -72.854 Base-Backbone interact. energy: -1.523 local terms energy: -250.515876 where: bonds (distance) C4'-P energy: -79.131 bonds (distance) P-C4' energy: -83.133 flat angles C4'-P-C4' energy: -59.464 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: 23.825 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: 1, replica: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1539.307758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.307758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.307758 (E_RNA) where: Base-Base interactions energy: -1017.003 where: short stacking energy: -469.482 Base-Backbone interact. energy: -2.939 local terms energy: -519.365781 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -107.952 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -143.914 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: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1446.536623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.536623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.536623 (E_RNA) where: Base-Base interactions energy: -979.279 where: short stacking energy: -434.800 Base-Backbone interact. energy: -2.093 local terms energy: -465.164429 where: bonds (distance) C4'-P energy: -95.042 bonds (distance) P-C4' energy: -82.371 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -122.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1318.294158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.294158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.294158 (E_RNA) where: Base-Base interactions energy: -854.223 where: short stacking energy: -395.328 Base-Backbone interact. energy: 1.231 local terms energy: -465.302241 where: bonds (distance) C4'-P energy: -90.294 bonds (distance) P-C4' energy: -85.573 flat angles C4'-P-C4' energy: -100.518 flat angles P-C4'-P energy: -81.959 tors. eta vs tors. theta energy: -106.958 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: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1249.990993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.990993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.990993 (E_RNA) where: Base-Base interactions energy: -790.410 where: short stacking energy: -372.518 Base-Backbone interact. energy: -1.003 local terms energy: -458.577418 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -102.061 flat angles P-C4'-P energy: -73.250 tors. eta vs tors. theta energy: -109.839 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: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1084.583917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.583917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.583917 (E_RNA) where: Base-Base interactions energy: -699.001 where: short stacking energy: -345.478 Base-Backbone interact. energy: -1.618 local terms energy: -383.964933 where: bonds (distance) C4'-P energy: -76.190 bonds (distance) P-C4' energy: -81.047 flat angles C4'-P-C4' energy: -89.575 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -85.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -985.245829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.245829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.245829 (E_RNA) where: Base-Base interactions energy: -604.557 where: short stacking energy: -315.252 Base-Backbone interact. energy: -2.478 local terms energy: -378.211339 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -98.951 flat angles C4'-P-C4' energy: -89.507 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -76.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -842.174396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.174396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.174396 (E_RNA) where: Base-Base interactions energy: -512.672 where: short stacking energy: -245.103 Base-Backbone interact. energy: 2.163 local terms energy: -331.665731 where: bonds (distance) C4'-P energy: -80.688 bonds (distance) P-C4' energy: -79.890 flat angles C4'-P-C4' energy: -86.686 flat angles P-C4'-P energy: -43.510 tors. eta vs tors. theta energy: -40.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -744.650420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.650420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.650420 (E_RNA) where: Base-Base interactions energy: -426.084 where: short stacking energy: -193.007 Base-Backbone interact. energy: 5.961 local terms energy: -324.527856 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -73.343 flat angles P-C4'-P energy: -52.759 tors. eta vs tors. theta energy: -30.685 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: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -560.493345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.493345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.493345 (E_RNA) where: Base-Base interactions energy: -282.288 where: short stacking energy: -153.878 Base-Backbone interact. energy: -0.933 local terms energy: -277.271980 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -88.895 flat angles C4'-P-C4' energy: -64.315 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: 8.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -453.565949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.565949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.565949 (E_RNA) where: Base-Base interactions energy: -191.751 where: short stacking energy: -125.806 Base-Backbone interact. energy: 1.170 local terms energy: -262.984630 where: bonds (distance) C4'-P energy: -74.616 bonds (distance) P-C4' energy: -89.454 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -46.098 tors. eta vs tors. theta energy: 9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1554.775891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.775891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.775891 (E_RNA) where: Base-Base interactions energy: -1047.167 where: short stacking energy: -493.203 Base-Backbone interact. energy: -2.314 local terms energy: -505.294750 where: bonds (distance) C4'-P energy: -92.172 bonds (distance) P-C4' energy: -89.058 flat angles C4'-P-C4' energy: -115.709 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -147.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1441.004153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.004153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.004153 (E_RNA) where: Base-Base interactions energy: -971.002 where: short stacking energy: -430.477 Base-Backbone interact. energy: -0.308 local terms energy: -469.694222 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -93.449 flat angles C4'-P-C4' energy: -94.131 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -122.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1305.038558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.038558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.038558 (E_RNA) where: Base-Base interactions energy: -845.408 where: short stacking energy: -395.821 Base-Backbone interact. energy: 2.700 local terms energy: -462.330514 where: bonds (distance) C4'-P energy: -83.043 bonds (distance) P-C4' energy: -95.500 flat angles C4'-P-C4' energy: -104.033 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -110.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1239.330657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.330657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.330657 (E_RNA) where: Base-Base interactions energy: -803.504 where: short stacking energy: -377.742 Base-Backbone interact. energy: -1.994 local terms energy: -433.833326 where: bonds (distance) C4'-P energy: -81.012 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -93.061 flat angles P-C4'-P energy: -54.581 tors. eta vs tors. theta energy: -115.633 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: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1069.835598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.835598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.835598 (E_RNA) where: Base-Base interactions energy: -657.091 where: short stacking energy: -315.715 Base-Backbone interact. energy: 0.389 local terms energy: -413.133261 where: bonds (distance) C4'-P energy: -86.095 bonds (distance) P-C4' energy: -101.889 flat angles C4'-P-C4' energy: -92.416 flat angles P-C4'-P energy: -64.758 tors. eta vs tors. theta energy: -67.975 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: 6, replica: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -885.486313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.486313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.486313 (E_RNA) where: Base-Base interactions energy: -517.700 where: short stacking energy: -264.382 Base-Backbone interact. energy: -1.099 local terms energy: -366.687186 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -97.636 flat angles C4'-P-C4' energy: -78.989 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -54.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -917.556445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.556445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.556445 (E_RNA) where: Base-Base interactions energy: -559.636 where: short stacking energy: -279.219 Base-Backbone interact. energy: -0.302 local terms energy: -357.618791 where: bonds (distance) C4'-P energy: -77.639 bonds (distance) P-C4' energy: -64.806 flat angles C4'-P-C4' energy: -88.891 flat angles P-C4'-P energy: -62.221 tors. eta vs tors. theta energy: -64.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -594.563397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.563397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.563397 (E_RNA) where: Base-Base interactions energy: -279.679 where: short stacking energy: -167.676 Base-Backbone interact. energy: -2.378 local terms energy: -312.507016 where: bonds (distance) C4'-P energy: -78.346 bonds (distance) P-C4' energy: -97.146 flat angles C4'-P-C4' energy: -79.673 flat angles P-C4'-P energy: -48.730 tors. eta vs tors. theta energy: -8.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -612.618740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.618740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.618740 (E_RNA) where: Base-Base interactions energy: -332.182 where: short stacking energy: -150.633 Base-Backbone interact. energy: -3.030 local terms energy: -277.406520 where: bonds (distance) C4'-P energy: -82.529 bonds (distance) P-C4' energy: -81.993 flat angles C4'-P-C4' energy: -67.790 flat angles P-C4'-P energy: -33.670 tors. eta vs tors. theta energy: -11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -410.018206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.018206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.018206 (E_RNA) where: Base-Base interactions energy: -165.931 where: short stacking energy: -108.045 Base-Backbone interact. energy: 0.582 local terms energy: -244.669482 where: bonds (distance) C4'-P energy: -69.400 bonds (distance) P-C4' energy: -86.098 flat angles C4'-P-C4' energy: -62.613 flat angles P-C4'-P energy: -36.233 tors. eta vs tors. theta energy: 9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1549.937582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.937582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.937582 (E_RNA) where: Base-Base interactions energy: -1025.205 where: short stacking energy: -474.102 Base-Backbone interact. energy: -0.660 local terms energy: -524.071936 where: bonds (distance) C4'-P energy: -92.272 bonds (distance) P-C4' energy: -95.199 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -78.532 tors. eta vs tors. theta energy: -148.087 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1409.627429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.627429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.627429 (E_RNA) where: Base-Base interactions energy: -940.531 where: short stacking energy: -417.886 Base-Backbone interact. energy: -2.363 local terms energy: -466.734000 where: bonds (distance) C4'-P energy: -94.772 bonds (distance) P-C4' energy: -88.230 flat angles C4'-P-C4' energy: -95.296 flat angles P-C4'-P energy: -72.615 tors. eta vs tors. theta energy: -115.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1283.474603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.474603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.474603 (E_RNA) where: Base-Base interactions energy: -841.259 where: short stacking energy: -400.939 Base-Backbone interact. energy: -0.559 local terms energy: -441.656944 where: bonds (distance) C4'-P energy: -88.460 bonds (distance) P-C4' energy: -79.790 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: -122.116 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: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1263.539351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.539351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.539351 (E_RNA) where: Base-Base interactions energy: -830.055 where: short stacking energy: -388.405 Base-Backbone interact. energy: 0.705 local terms energy: -434.188646 where: bonds (distance) C4'-P energy: -96.047 bonds (distance) P-C4' energy: -86.551 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -100.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1077.086694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.086694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.086694 (E_RNA) where: Base-Base interactions energy: -678.169 where: short stacking energy: -314.305 Base-Backbone interact. energy: -1.009 local terms energy: -397.908320 where: bonds (distance) C4'-P energy: -89.027 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -83.933 flat angles P-C4'-P energy: -53.652 tors. eta vs tors. theta energy: -81.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -934.983077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.983077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.983077 (E_RNA) where: Base-Base interactions energy: -565.668 where: short stacking energy: -270.762 Base-Backbone interact. energy: -0.891 local terms energy: -368.424532 where: bonds (distance) C4'-P energy: -92.231 bonds (distance) P-C4' energy: -81.560 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -51.796 tors. eta vs tors. theta energy: -53.177 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: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -893.762939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.762939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.762939 (E_RNA) where: Base-Base interactions energy: -543.786 where: short stacking energy: -253.452 Base-Backbone interact. energy: 0.640 local terms energy: -350.617034 where: bonds (distance) C4'-P energy: -85.680 bonds (distance) P-C4' energy: -91.167 flat angles C4'-P-C4' energy: -83.703 flat angles P-C4'-P energy: -51.445 tors. eta vs tors. theta energy: -38.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -572.120619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.120619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.120619 (E_RNA) where: Base-Base interactions energy: -297.936 where: short stacking energy: -173.425 Base-Backbone interact. energy: 1.048 local terms energy: -275.233261 where: bonds (distance) C4'-P energy: -85.498 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -82.358 flat angles P-C4'-P energy: -19.669 tors. eta vs tors. theta energy: -17.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -589.056058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.056058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.056058 (E_RNA) where: Base-Base interactions energy: -315.310 where: short stacking energy: -153.569 Base-Backbone interact. energy: -0.007 local terms energy: -273.739361 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -75.601 flat angles C4'-P-C4' energy: -86.110 flat angles P-C4'-P energy: -41.517 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -431.567607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.567607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.567607 (E_RNA) where: Base-Base interactions energy: -203.141 where: short stacking energy: -102.681 Base-Backbone interact. energy: 0.428 local terms energy: -228.854822 where: bonds (distance) C4'-P energy: -71.839 bonds (distance) P-C4' energy: -80.515 flat angles C4'-P-C4' energy: -62.867 flat angles P-C4'-P energy: -42.714 tors. eta vs tors. theta energy: 29.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1526.615153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.615153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.615153 (E_RNA) where: Base-Base interactions energy: -1027.220 where: short stacking energy: -466.460 Base-Backbone interact. energy: -0.966 local terms energy: -498.429785 where: bonds (distance) C4'-P energy: -84.522 bonds (distance) P-C4' energy: -89.540 flat angles C4'-P-C4' energy: -108.874 flat angles P-C4'-P energy: -70.155 tors. eta vs tors. theta energy: -145.339 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: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1446.168687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.168687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.168687 (E_RNA) where: Base-Base interactions energy: -966.407 where: short stacking energy: -433.053 Base-Backbone interact. energy: -1.141 local terms energy: -478.620443 where: bonds (distance) C4'-P energy: -96.906 bonds (distance) P-C4' energy: -96.900 flat angles C4'-P-C4' energy: -104.452 flat angles P-C4'-P energy: -62.205 tors. eta vs tors. theta energy: -118.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1256.390986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.390986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.390986 (E_RNA) where: Base-Base interactions energy: -827.133 where: short stacking energy: -400.405 Base-Backbone interact. energy: -1.081 local terms energy: -428.176329 where: bonds (distance) C4'-P energy: -88.987 bonds (distance) P-C4' energy: -77.720 flat angles C4'-P-C4' energy: -104.867 flat angles P-C4'-P energy: -54.653 tors. eta vs tors. theta energy: -101.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1281.152085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.152085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.152085 (E_RNA) where: Base-Base interactions energy: -835.493 where: short stacking energy: -406.439 Base-Backbone interact. energy: -1.218 local terms energy: -444.440997 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -93.616 flat angles C4'-P-C4' energy: -95.284 flat angles P-C4'-P energy: -62.714 tors. eta vs tors. theta energy: -109.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1122.854923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.854923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.854923 (E_RNA) where: Base-Base interactions energy: -718.751 where: short stacking energy: -341.371 Base-Backbone interact. energy: 1.487 local terms energy: -405.590191 where: bonds (distance) C4'-P energy: -93.850 bonds (distance) P-C4' energy: -83.472 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -50.856 tors. eta vs tors. theta energy: -85.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -941.720182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.720182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.720182 (E_RNA) where: Base-Base interactions energy: -571.680 where: short stacking energy: -272.178 Base-Backbone interact. energy: 2.406 local terms energy: -372.446126 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -94.339 flat angles C4'-P-C4' energy: -79.597 flat angles P-C4'-P energy: -58.225 tors. eta vs tors. theta energy: -56.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -898.196443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.196443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.196443 (E_RNA) where: Base-Base interactions energy: -543.859 where: short stacking energy: -235.063 Base-Backbone interact. energy: -0.148 local terms energy: -354.188934 where: bonds (distance) C4'-P energy: -76.813 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -41.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -630.075879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.075879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.075879 (E_RNA) where: Base-Base interactions energy: -310.003 where: short stacking energy: -195.738 Base-Backbone interact. energy: -2.808 local terms energy: -317.264904 where: bonds (distance) C4'-P energy: -86.142 bonds (distance) P-C4' energy: -82.313 flat angles C4'-P-C4' energy: -82.970 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: -15.531 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: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -532.834651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.834651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.834651 (E_RNA) where: Base-Base interactions energy: -261.363 where: short stacking energy: -154.154 Base-Backbone interact. energy: -0.468 local terms energy: -271.004086 where: bonds (distance) C4'-P energy: -88.511 bonds (distance) P-C4' energy: -79.875 flat angles C4'-P-C4' energy: -58.013 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -441.363807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.363807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.363807 (E_RNA) where: Base-Base interactions energy: -198.778 where: short stacking energy: -135.685 Base-Backbone interact. energy: 2.549 local terms energy: -245.134966 where: bonds (distance) C4'-P energy: -67.558 bonds (distance) P-C4' energy: -81.732 flat angles C4'-P-C4' energy: -64.319 flat angles P-C4'-P energy: -27.707 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1539.320812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.320812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.320812 (E_RNA) where: Base-Base interactions energy: -1014.281 where: short stacking energy: -479.269 Base-Backbone interact. energy: -0.492 local terms energy: -524.547093 where: bonds (distance) C4'-P energy: -95.015 bonds (distance) P-C4' energy: -101.904 flat angles C4'-P-C4' energy: -102.822 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -145.318 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: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1458.757035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.757035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.757035 (E_RNA) where: Base-Base interactions energy: -990.707 where: short stacking energy: -413.958 Base-Backbone interact. energy: -1.668 local terms energy: -466.382520 where: bonds (distance) C4'-P energy: -95.010 bonds (distance) P-C4' energy: -94.331 flat angles C4'-P-C4' energy: -104.467 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -103.269 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: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1265.765012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.765012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.765012 (E_RNA) where: Base-Base interactions energy: -813.698 where: short stacking energy: -389.904 Base-Backbone interact. energy: -1.154 local terms energy: -450.912493 where: bonds (distance) C4'-P energy: -91.091 bonds (distance) P-C4' energy: -97.224 flat angles C4'-P-C4' energy: -97.552 flat angles P-C4'-P energy: -64.570 tors. eta vs tors. theta energy: -100.476 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: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1254.501815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.501815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.501815 (E_RNA) where: Base-Base interactions energy: -803.805 where: short stacking energy: -391.709 Base-Backbone interact. energy: -2.529 local terms energy: -448.167261 where: bonds (distance) C4'-P energy: -78.255 bonds (distance) P-C4' energy: -97.744 flat angles C4'-P-C4' energy: -96.075 flat angles P-C4'-P energy: -67.074 tors. eta vs tors. theta energy: -109.019 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: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1161.388426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.388426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.388426 (E_RNA) where: Base-Base interactions energy: -752.879 where: short stacking energy: -353.917 Base-Backbone interact. energy: 1.587 local terms energy: -410.096195 where: bonds (distance) C4'-P energy: -91.113 bonds (distance) P-C4' energy: -92.798 flat angles C4'-P-C4' energy: -84.129 flat angles P-C4'-P energy: -56.409 tors. eta vs tors. theta energy: -85.647 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: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -973.188249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.188249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.188249 (E_RNA) where: Base-Base interactions energy: -580.063 where: short stacking energy: -279.823 Base-Backbone interact. energy: -3.084 local terms energy: -390.041346 where: bonds (distance) C4'-P energy: -100.823 bonds (distance) P-C4' energy: -93.125 flat angles C4'-P-C4' energy: -79.968 flat angles P-C4'-P energy: -51.350 tors. eta vs tors. theta energy: -64.775 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: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -889.912958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.912958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.912958 (E_RNA) where: Base-Base interactions energy: -553.156 where: short stacking energy: -250.642 Base-Backbone interact. energy: 2.097 local terms energy: -338.854219 where: bonds (distance) C4'-P energy: -70.314 bonds (distance) P-C4' energy: -85.902 flat angles C4'-P-C4' energy: -85.539 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -46.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -592.515419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.515419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.515419 (E_RNA) where: Base-Base interactions energy: -317.356 where: short stacking energy: -180.296 Base-Backbone interact. energy: -3.205 local terms energy: -271.954665 where: bonds (distance) C4'-P energy: -68.040 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: -24.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -554.698319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.698319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.698319 (E_RNA) where: Base-Base interactions energy: -273.153 where: short stacking energy: -176.396 Base-Backbone interact. energy: -1.451 local terms energy: -280.094673 where: bonds (distance) C4'-P energy: -79.479 bonds (distance) P-C4' energy: -73.570 flat angles C4'-P-C4' energy: -68.064 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -13.463 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: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -383.515774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.515774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.515774 (E_RNA) where: Base-Base interactions energy: -137.372 where: short stacking energy: -108.755 Base-Backbone interact. energy: 2.588 local terms energy: -248.731394 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -67.691 flat angles P-C4'-P energy: -38.495 tors. eta vs tors. theta energy: 12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1572.532655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.532655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.532655 (E_RNA) where: Base-Base interactions energy: -1054.131 where: short stacking energy: -480.120 Base-Backbone interact. energy: -0.407 local terms energy: -517.994873 where: bonds (distance) C4'-P energy: -100.349 bonds (distance) P-C4' energy: -85.406 flat angles C4'-P-C4' energy: -102.206 flat angles P-C4'-P energy: -80.084 tors. eta vs tors. theta energy: -149.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1466.367024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.367024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.367024 (E_RNA) where: Base-Base interactions energy: -989.250 where: short stacking energy: -405.108 Base-Backbone interact. energy: 0.491 local terms energy: -477.608126 where: bonds (distance) C4'-P energy: -96.055 bonds (distance) P-C4' energy: -92.472 flat angles C4'-P-C4' energy: -101.048 flat angles P-C4'-P energy: -75.871 tors. eta vs tors. theta energy: -112.163 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: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1310.945421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.945421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.945421 (E_RNA) where: Base-Base interactions energy: -861.055 where: short stacking energy: -409.292 Base-Backbone interact. energy: -0.727 local terms energy: -449.163962 where: bonds (distance) C4'-P energy: -81.430 bonds (distance) P-C4' energy: -96.950 flat angles C4'-P-C4' energy: -101.122 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: -101.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1172.329664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.329664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.329664 (E_RNA) where: Base-Base interactions energy: -744.083 where: short stacking energy: -359.363 Base-Backbone interact. energy: -1.676 local terms energy: -426.570695 where: bonds (distance) C4'-P energy: -90.473 bonds (distance) P-C4' energy: -91.397 flat angles C4'-P-C4' energy: -98.758 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -84.451 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: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1161.656421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.656421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.656421 (E_RNA) where: Base-Base interactions energy: -709.276 where: short stacking energy: -340.832 Base-Backbone interact. energy: -1.910 local terms energy: -450.469737 where: bonds (distance) C4'-P energy: -81.494 bonds (distance) P-C4' energy: -96.109 flat angles C4'-P-C4' energy: -96.572 flat angles P-C4'-P energy: -73.019 tors. eta vs tors. theta energy: -103.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1004.822330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.822330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.822330 (E_RNA) where: Base-Base interactions energy: -621.247 where: short stacking energy: -306.204 Base-Backbone interact. energy: -1.399 local terms energy: -382.175654 where: bonds (distance) C4'-P energy: -70.261 bonds (distance) P-C4' energy: -83.260 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -52.253 tors. eta vs tors. theta energy: -77.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -865.368839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.368839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.368839 (E_RNA) where: Base-Base interactions energy: -507.119 where: short stacking energy: -230.175 Base-Backbone interact. energy: -0.372 local terms energy: -357.877075 where: bonds (distance) C4'-P energy: -100.462 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -82.154 flat angles P-C4'-P energy: -41.933 tors. eta vs tors. theta energy: -49.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -658.744488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.744488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.744488 (E_RNA) where: Base-Base interactions energy: -340.413 where: short stacking energy: -186.831 Base-Backbone interact. energy: -2.109 local terms energy: -316.222608 where: bonds (distance) C4'-P energy: -73.903 bonds (distance) P-C4' energy: -82.364 flat angles C4'-P-C4' energy: -78.258 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -37.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -573.649196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.649196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.649196 (E_RNA) where: Base-Base interactions energy: -298.595 where: short stacking energy: -162.834 Base-Backbone interact. energy: 0.243 local terms energy: -275.297826 where: bonds (distance) C4'-P energy: -78.382 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -71.068 flat angles P-C4'-P energy: -35.060 tors. eta vs tors. theta energy: -14.681 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: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -397.980641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.980641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.980641 (E_RNA) where: Base-Base interactions energy: -148.562 where: short stacking energy: -125.501 Base-Backbone interact. energy: 0.993 local terms energy: -250.411883 where: bonds (distance) C4'-P energy: -73.067 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -71.305 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: 12.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1535.015151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.015151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.015151 (E_RNA) where: Base-Base interactions energy: -1016.337 where: short stacking energy: -448.693 Base-Backbone interact. energy: -0.253 local terms energy: -518.425362 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -96.997 flat angles C4'-P-C4' energy: -107.391 flat angles P-C4'-P energy: -73.580 tors. eta vs tors. theta energy: -146.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1437.865036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.865036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.865036 (E_RNA) where: Base-Base interactions energy: -988.690 where: short stacking energy: -413.936 Base-Backbone interact. energy: -1.366 local terms energy: -447.808941 where: bonds (distance) C4'-P energy: -87.744 bonds (distance) P-C4' energy: -84.947 flat angles C4'-P-C4' energy: -99.954 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -109.470 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: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1325.420284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.420284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.420284 (E_RNA) where: Base-Base interactions energy: -859.692 where: short stacking energy: -402.201 Base-Backbone interact. energy: -1.235 local terms energy: -464.493587 where: bonds (distance) C4'-P energy: -98.827 bonds (distance) P-C4' energy: -88.333 flat angles C4'-P-C4' energy: -110.727 flat angles P-C4'-P energy: -64.565 tors. eta vs tors. theta energy: -102.041 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: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1200.173098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.173098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.173098 (E_RNA) where: Base-Base interactions energy: -756.875 where: short stacking energy: -365.707 Base-Backbone interact. energy: -1.040 local terms energy: -442.257918 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -91.683 flat angles C4'-P-C4' energy: -94.894 flat angles P-C4'-P energy: -67.281 tors. eta vs tors. theta energy: -93.435 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: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1109.468389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.468389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.468389 (E_RNA) where: Base-Base interactions energy: -694.370 where: short stacking energy: -350.824 Base-Backbone interact. energy: -2.525 local terms energy: -412.573370 where: bonds (distance) C4'-P energy: -80.898 bonds (distance) P-C4' energy: -85.557 flat angles C4'-P-C4' energy: -97.779 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -101.666 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: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -991.412193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.412193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.412193 (E_RNA) where: Base-Base interactions energy: -602.299 where: short stacking energy: -306.007 Base-Backbone interact. energy: -0.550 local terms energy: -388.562940 where: bonds (distance) C4'-P energy: -83.476 bonds (distance) P-C4' energy: -87.957 flat angles C4'-P-C4' energy: -95.053 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -72.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -907.519218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.519218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.519218 (E_RNA) where: Base-Base interactions energy: -556.158 where: short stacking energy: -258.597 Base-Backbone interact. energy: -0.144 local terms energy: -351.217022 where: bonds (distance) C4'-P energy: -77.518 bonds (distance) P-C4' energy: -86.503 flat angles C4'-P-C4' energy: -93.337 flat angles P-C4'-P energy: -49.241 tors. eta vs tors. theta energy: -44.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -753.465082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.465082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.465082 (E_RNA) where: Base-Base interactions energy: -408.004 where: short stacking energy: -205.256 Base-Backbone interact. energy: -4.297 local terms energy: -341.164255 where: bonds (distance) C4'-P energy: -73.044 bonds (distance) P-C4' energy: -86.462 flat angles C4'-P-C4' energy: -89.141 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -39.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -535.388772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.388772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.388772 (E_RNA) where: Base-Base interactions energy: -245.908 where: short stacking energy: -135.556 Base-Backbone interact. energy: 0.868 local terms energy: -290.348343 where: bonds (distance) C4'-P energy: -78.652 bonds (distance) P-C4' energy: -90.403 flat angles C4'-P-C4' energy: -72.404 flat angles P-C4'-P energy: -41.482 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -442.188077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.188077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.188077 (E_RNA) where: Base-Base interactions energy: -201.791 where: short stacking energy: -142.141 Base-Backbone interact. energy: 3.219 local terms energy: -243.616003 where: bonds (distance) C4'-P energy: -72.508 bonds (distance) P-C4' energy: -92.105 flat angles C4'-P-C4' energy: -52.522 flat angles P-C4'-P energy: -28.453 tors. eta vs tors. theta energy: 1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1512.166965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.166965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.166965 (E_RNA) where: Base-Base interactions energy: -992.677 where: short stacking energy: -432.400 Base-Backbone interact. energy: -2.841 local terms energy: -516.649299 where: bonds (distance) C4'-P energy: -97.527 bonds (distance) P-C4' energy: -100.388 flat angles C4'-P-C4' energy: -114.722 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -129.786 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: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1446.209838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.209838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.209838 (E_RNA) where: Base-Base interactions energy: -987.489 where: short stacking energy: -432.335 Base-Backbone interact. energy: 3.198 local terms energy: -461.918852 where: bonds (distance) C4'-P energy: -95.854 bonds (distance) P-C4' energy: -85.494 flat angles C4'-P-C4' energy: -104.263 flat angles P-C4'-P energy: -66.753 tors. eta vs tors. theta energy: -109.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1364.029933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.029933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.029933 (E_RNA) where: Base-Base interactions energy: -910.425 where: short stacking energy: -435.690 Base-Backbone interact. energy: -1.721 local terms energy: -451.883878 where: bonds (distance) C4'-P energy: -88.370 bonds (distance) P-C4' energy: -78.572 flat angles C4'-P-C4' energy: -95.273 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -116.888 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: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1210.414017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.414017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.414017 (E_RNA) where: Base-Base interactions energy: -750.264 where: short stacking energy: -345.397 Base-Backbone interact. energy: -0.659 local terms energy: -459.490847 where: bonds (distance) C4'-P energy: -88.485 bonds (distance) P-C4' energy: -77.672 flat angles C4'-P-C4' energy: -114.815 flat angles P-C4'-P energy: -74.698 tors. eta vs tors. theta energy: -103.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1092.038582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.038582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.038582 (E_RNA) where: Base-Base interactions energy: -703.708 where: short stacking energy: -328.089 Base-Backbone interact. energy: -1.301 local terms energy: -387.029797 where: bonds (distance) C4'-P energy: -76.573 bonds (distance) P-C4' energy: -90.797 flat angles C4'-P-C4' energy: -93.024 flat angles P-C4'-P energy: -50.369 tors. eta vs tors. theta energy: -76.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -963.655245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.655245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.655245 (E_RNA) where: Base-Base interactions energy: -607.100 where: short stacking energy: -287.719 Base-Backbone interact. energy: 6.348 local terms energy: -362.903081 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -81.587 flat angles C4'-P-C4' energy: -94.892 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -57.787 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: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -900.153938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.153938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.153938 (E_RNA) where: Base-Base interactions energy: -554.678 where: short stacking energy: -249.269 Base-Backbone interact. energy: -1.455 local terms energy: -344.021411 where: bonds (distance) C4'-P energy: -80.910 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -48.736 tors. eta vs tors. theta energy: -42.816 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: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -713.769453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.769453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.769453 (E_RNA) where: Base-Base interactions energy: -402.702 where: short stacking energy: -182.873 Base-Backbone interact. energy: -1.773 local terms energy: -309.294432 where: bonds (distance) C4'-P energy: -76.217 bonds (distance) P-C4' energy: -84.375 flat angles C4'-P-C4' energy: -87.696 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -537.993692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.993692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.993692 (E_RNA) where: Base-Base interactions energy: -274.470 where: short stacking energy: -160.799 Base-Backbone interact. energy: -3.173 local terms energy: -260.350973 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -76.818 flat angles C4'-P-C4' energy: -71.580 flat angles P-C4'-P energy: -35.532 tors. eta vs tors. theta energy: 1.423 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: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -407.568082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.568082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.568082 (E_RNA) where: Base-Base interactions energy: -187.237 where: short stacking energy: -129.405 Base-Backbone interact. energy: -0.982 local terms energy: -219.349830 where: bonds (distance) C4'-P energy: -68.631 bonds (distance) P-C4' energy: -78.081 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -25.618 tors. eta vs tors. theta energy: 16.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1535.199014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.199014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.199014 (E_RNA) where: Base-Base interactions energy: -1037.073 where: short stacking energy: -482.889 Base-Backbone interact. energy: -1.337 local terms energy: -496.788913 where: bonds (distance) C4'-P energy: -91.023 bonds (distance) P-C4' energy: -88.559 flat angles C4'-P-C4' energy: -106.596 flat angles P-C4'-P energy: -67.971 tors. eta vs tors. theta energy: -142.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1448.467949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.467949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.467949 (E_RNA) where: Base-Base interactions energy: -983.887 where: short stacking energy: -396.431 Base-Backbone interact. energy: -3.633 local terms energy: -460.947453 where: bonds (distance) C4'-P energy: -86.064 bonds (distance) P-C4' energy: -97.773 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -64.825 tors. eta vs tors. theta energy: -113.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1354.729020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.729020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.729020 (E_RNA) where: Base-Base interactions energy: -898.011 where: short stacking energy: -432.248 Base-Backbone interact. energy: -1.436 local terms energy: -455.281057 where: bonds (distance) C4'-P energy: -92.147 bonds (distance) P-C4' energy: -82.768 flat angles C4'-P-C4' energy: -95.508 flat angles P-C4'-P energy: -64.964 tors. eta vs tors. theta energy: -119.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1216.267954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.267954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.267954 (E_RNA) where: Base-Base interactions energy: -773.366 where: short stacking energy: -357.680 Base-Backbone interact. energy: 0.353 local terms energy: -443.254352 where: bonds (distance) C4'-P energy: -87.583 bonds (distance) P-C4' energy: -96.035 flat angles C4'-P-C4' energy: -94.021 flat angles P-C4'-P energy: -62.236 tors. eta vs tors. theta energy: -103.380 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: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1058.989960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.989960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.989960 (E_RNA) where: Base-Base interactions energy: -667.693 where: short stacking energy: -316.812 Base-Backbone interact. energy: -2.289 local terms energy: -389.007467 where: bonds (distance) C4'-P energy: -85.502 bonds (distance) P-C4' energy: -100.318 flat angles C4'-P-C4' energy: -79.013 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -73.891 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: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -945.907686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.907686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.907686 (E_RNA) where: Base-Base interactions energy: -578.539 where: short stacking energy: -267.960 Base-Backbone interact. energy: 0.075 local terms energy: -367.443534 where: bonds (distance) C4'-P energy: -79.860 bonds (distance) P-C4' energy: -73.933 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -56.478 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: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -922.785269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.785269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.785269 (E_RNA) where: Base-Base interactions energy: -563.844 where: short stacking energy: -270.486 Base-Backbone interact. energy: -0.171 local terms energy: -358.769906 where: bonds (distance) C4'-P energy: -91.968 bonds (distance) P-C4' energy: -80.498 flat angles C4'-P-C4' energy: -76.572 flat angles P-C4'-P energy: -60.781 tors. eta vs tors. theta energy: -48.951 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: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -694.707579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.707579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.707579 (E_RNA) where: Base-Base interactions energy: -365.955 where: short stacking energy: -210.151 Base-Backbone interact. energy: 2.412 local terms energy: -331.164149 where: bonds (distance) C4'-P energy: -78.635 bonds (distance) P-C4' energy: -83.490 flat angles C4'-P-C4' energy: -88.718 flat angles P-C4'-P energy: -50.170 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: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -388.549752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.549752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.549752 (E_RNA) where: Base-Base interactions energy: -98.953 where: short stacking energy: -76.152 Base-Backbone interact. energy: -0.936 local terms energy: -288.660795 where: bonds (distance) C4'-P energy: -85.969 bonds (distance) P-C4' energy: -102.455 flat angles C4'-P-C4' energy: -74.728 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: 18.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -548.674835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.674835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.674835 (E_RNA) where: Base-Base interactions energy: -268.144 where: short stacking energy: -160.054 Base-Backbone interact. energy: 2.424 local terms energy: -282.954339 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -82.519 flat angles C4'-P-C4' energy: -77.817 flat angles P-C4'-P energy: -33.835 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1535.542901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.542901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.542901 (E_RNA) where: Base-Base interactions energy: -1023.996 where: short stacking energy: -468.302 Base-Backbone interact. energy: -0.193 local terms energy: -511.354184 where: bonds (distance) C4'-P energy: -81.116 bonds (distance) P-C4' energy: -105.076 flat angles C4'-P-C4' energy: -109.875 flat angles P-C4'-P energy: -72.973 tors. eta vs tors. theta energy: -142.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1451.432995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.432995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.432995 (E_RNA) where: Base-Base interactions energy: -983.715 where: short stacking energy: -396.469 Base-Backbone interact. energy: 1.525 local terms energy: -469.243331 where: bonds (distance) C4'-P energy: -92.101 bonds (distance) P-C4' energy: -93.384 flat angles C4'-P-C4' energy: -104.161 flat angles P-C4'-P energy: -67.072 tors. eta vs tors. theta energy: -112.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1339.394212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.394212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.394212 (E_RNA) where: Base-Base interactions energy: -865.013 where: short stacking energy: -404.353 Base-Backbone interact. energy: -2.007 local terms energy: -472.374099 where: bonds (distance) C4'-P energy: -82.803 bonds (distance) P-C4' energy: -99.696 flat angles C4'-P-C4' energy: -108.713 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -121.621 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: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1283.591858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.591858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.591858 (E_RNA) where: Base-Base interactions energy: -833.142 where: short stacking energy: -399.470 Base-Backbone interact. energy: -0.538 local terms energy: -449.912511 where: bonds (distance) C4'-P energy: -93.029 bonds (distance) P-C4' energy: -85.789 flat angles C4'-P-C4' energy: -107.764 flat angles P-C4'-P energy: -53.400 tors. eta vs tors. theta energy: -109.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1080.401832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.401832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.401832 (E_RNA) where: Base-Base interactions energy: -673.776 where: short stacking energy: -296.259 Base-Backbone interact. energy: -1.039 local terms energy: -405.587108 where: bonds (distance) C4'-P energy: -94.336 bonds (distance) P-C4' energy: -98.866 flat angles C4'-P-C4' energy: -90.188 flat angles P-C4'-P energy: -50.237 tors. eta vs tors. theta energy: -71.960 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: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -960.765782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.765782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.765782 (E_RNA) where: Base-Base interactions energy: -578.669 where: short stacking energy: -289.585 Base-Backbone interact. energy: -0.251 local terms energy: -381.844955 where: bonds (distance) C4'-P energy: -74.008 bonds (distance) P-C4' energy: -86.575 flat angles C4'-P-C4' energy: -95.319 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -74.897 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: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -890.317976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.317976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.317976 (E_RNA) where: Base-Base interactions energy: -548.720 where: short stacking energy: -248.903 Base-Backbone interact. energy: -0.008 local terms energy: -341.590181 where: bonds (distance) C4'-P energy: -63.643 bonds (distance) P-C4' energy: -95.491 flat angles C4'-P-C4' energy: -86.194 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -50.229 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: 289 Temperature: 1.250000 Total energy: -660.953872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.953872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.953872 (E_RNA) where: Base-Base interactions energy: -378.323 where: short stacking energy: -179.302 Base-Backbone interact. energy: -0.377 local terms energy: -282.253119 where: bonds (distance) C4'-P energy: -64.736 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -77.156 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: -28.695 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: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -428.616289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.616289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.616289 (E_RNA) where: Base-Base interactions energy: -162.915 where: short stacking energy: -123.098 Base-Backbone interact. energy: -1.513 local terms energy: -264.187697 where: bonds (distance) C4'-P energy: -62.396 bonds (distance) P-C4' energy: -91.654 flat angles C4'-P-C4' energy: -79.718 flat angles P-C4'-P energy: -31.887 tors. eta vs tors. theta energy: 1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -507.935880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.935880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.935880 (E_RNA) where: Base-Base interactions energy: -235.085 where: short stacking energy: -133.201 Base-Backbone interact. energy: 3.108 local terms energy: -275.958775 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -76.320 flat angles C4'-P-C4' energy: -65.558 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1532.860896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.860896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.860896 (E_RNA) where: Base-Base interactions energy: -1024.990 where: short stacking energy: -472.016 Base-Backbone interact. energy: -0.901 local terms energy: -506.970132 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -89.703 flat angles C4'-P-C4' energy: -111.374 flat angles P-C4'-P energy: -72.488 tors. eta vs tors. theta energy: -141.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1476.167283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.167283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.167283 (E_RNA) where: Base-Base interactions energy: -1010.636 where: short stacking energy: -401.760 Base-Backbone interact. energy: -1.684 local terms energy: -463.846955 where: bonds (distance) C4'-P energy: -102.495 bonds (distance) P-C4' energy: -87.279 flat angles C4'-P-C4' energy: -101.645 flat angles P-C4'-P energy: -65.458 tors. eta vs tors. theta energy: -106.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1329.751426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.751426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.751426 (E_RNA) where: Base-Base interactions energy: -865.589 where: short stacking energy: -414.427 Base-Backbone interact. energy: -2.192 local terms energy: -461.970832 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -96.573 flat angles C4'-P-C4' energy: -94.297 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -112.376 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: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1255.373311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.373311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.373311 (E_RNA) where: Base-Base interactions energy: -813.910 where: short stacking energy: -392.185 Base-Backbone interact. energy: -0.353 local terms energy: -441.110117 where: bonds (distance) C4'-P energy: -85.343 bonds (distance) P-C4' energy: -96.953 flat angles C4'-P-C4' energy: -87.778 flat angles P-C4'-P energy: -61.673 tors. eta vs tors. theta energy: -109.362 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: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1098.765300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.765300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.765300 (E_RNA) where: Base-Base interactions energy: -703.439 where: short stacking energy: -329.213 Base-Backbone interact. energy: 0.195 local terms energy: -395.521205 where: bonds (distance) C4'-P energy: -85.040 bonds (distance) P-C4' energy: -81.906 flat angles C4'-P-C4' energy: -92.539 flat angles P-C4'-P energy: -54.690 tors. eta vs tors. theta energy: -81.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -972.343390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.343390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.343390 (E_RNA) where: Base-Base interactions energy: -643.937 where: short stacking energy: -279.885 Base-Backbone interact. energy: -0.108 local terms energy: -328.297731 where: bonds (distance) C4'-P energy: -72.806 bonds (distance) P-C4' energy: -80.550 flat angles C4'-P-C4' energy: -75.801 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -48.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -917.994627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.994627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.994627 (E_RNA) where: Base-Base interactions energy: -588.720 where: short stacking energy: -287.878 Base-Backbone interact. energy: -1.799 local terms energy: -327.475973 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -70.667 flat angles C4'-P-C4' energy: -85.839 flat angles P-C4'-P energy: -42.521 tors. eta vs tors. theta energy: -59.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -713.517411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.517411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.517411 (E_RNA) where: Base-Base interactions energy: -391.940 where: short stacking energy: -194.382 Base-Backbone interact. energy: -3.866 local terms energy: -317.710822 where: bonds (distance) C4'-P energy: -74.695 bonds (distance) P-C4' energy: -89.255 flat angles C4'-P-C4' energy: -75.898 flat angles P-C4'-P energy: -57.256 tors. eta vs tors. theta energy: -20.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -528.982146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.982146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.982146 (E_RNA) where: Base-Base interactions energy: -245.049 where: short stacking energy: -149.207 Base-Backbone interact. energy: 1.017 local terms energy: -284.949997 where: bonds (distance) C4'-P energy: -86.883 bonds (distance) P-C4' energy: -91.148 flat angles C4'-P-C4' energy: -65.261 flat angles P-C4'-P energy: -46.482 tors. eta vs tors. theta energy: 4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -395.026488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.026488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.026488 (E_RNA) where: Base-Base interactions energy: -171.174 where: short stacking energy: -126.174 Base-Backbone interact. energy: 0.875 local terms energy: -224.727020 where: bonds (distance) C4'-P energy: -51.501 bonds (distance) P-C4' energy: -75.165 flat angles C4'-P-C4' energy: -76.161 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: 23.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1565.948749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.948749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.948749 (E_RNA) where: Base-Base interactions energy: -1038.553 where: short stacking energy: -465.708 Base-Backbone interact. energy: -0.020 local terms energy: -527.376613 where: bonds (distance) C4'-P energy: -99.353 bonds (distance) P-C4' energy: -102.501 flat angles C4'-P-C4' energy: -110.697 flat angles P-C4'-P energy: -76.514 tors. eta vs tors. theta energy: -138.311 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: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1477.210811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.210811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.210811 (E_RNA) where: Base-Base interactions energy: -1020.371 where: short stacking energy: -433.393 Base-Backbone interact. energy: -0.254 local terms energy: -456.585440 where: bonds (distance) C4'-P energy: -93.631 bonds (distance) P-C4' energy: -96.147 flat angles C4'-P-C4' energy: -94.037 flat angles P-C4'-P energy: -60.950 tors. eta vs tors. theta energy: -111.822 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: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1316.095624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.095624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.095624 (E_RNA) where: Base-Base interactions energy: -854.044 where: short stacking energy: -399.877 Base-Backbone interact. energy: -2.291 local terms energy: -459.761124 where: bonds (distance) C4'-P energy: -95.521 bonds (distance) P-C4' energy: -85.545 flat angles C4'-P-C4' energy: -99.169 flat angles P-C4'-P energy: -63.351 tors. eta vs tors. theta energy: -116.174 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: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1260.645265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.645265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.645265 (E_RNA) where: Base-Base interactions energy: -829.556 where: short stacking energy: -395.918 Base-Backbone interact. energy: -1.847 local terms energy: -429.242971 where: bonds (distance) C4'-P energy: -77.496 bonds (distance) P-C4' energy: -88.886 flat angles C4'-P-C4' energy: -99.898 flat angles P-C4'-P energy: -56.030 tors. eta vs tors. theta energy: -106.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1045.493717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.493717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.493717 (E_RNA) where: Base-Base interactions energy: -647.988 where: short stacking energy: -300.043 Base-Backbone interact. energy: -2.367 local terms energy: -395.138726 where: bonds (distance) C4'-P energy: -76.073 bonds (distance) P-C4' energy: -92.103 flat angles C4'-P-C4' energy: -89.397 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -80.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1000.912118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.912118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.912118 (E_RNA) where: Base-Base interactions energy: -628.570 where: short stacking energy: -270.681 Base-Backbone interact. energy: 1.298 local terms energy: -373.639811 where: bonds (distance) C4'-P energy: -90.132 bonds (distance) P-C4' energy: -73.774 flat angles C4'-P-C4' energy: -89.982 flat angles P-C4'-P energy: -63.053 tors. eta vs tors. theta energy: -56.699 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: 2 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -920.830395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.830395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.830395 (E_RNA) where: Base-Base interactions energy: -575.224 where: short stacking energy: -271.710 Base-Backbone interact. energy: -1.772 local terms energy: -343.833992 where: bonds (distance) C4'-P energy: -91.277 bonds (distance) P-C4' energy: -85.633 flat angles C4'-P-C4' energy: -71.877 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -51.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -696.920256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.920256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.920256 (E_RNA) where: Base-Base interactions energy: -391.983 where: short stacking energy: -207.303 Base-Backbone interact. energy: 1.091 local terms energy: -306.028245 where: bonds (distance) C4'-P energy: -73.844 bonds (distance) P-C4' energy: -74.240 flat angles C4'-P-C4' energy: -90.340 flat angles P-C4'-P energy: -49.326 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: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -549.002203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.002203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.002203 (E_RNA) where: Base-Base interactions energy: -245.975 where: short stacking energy: -154.612 Base-Backbone interact. energy: -0.737 local terms energy: -302.289638 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -86.566 flat angles C4'-P-C4' energy: -77.167 flat angles P-C4'-P energy: -32.124 tors. eta vs tors. theta energy: -15.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -394.786795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.786795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.786795 (E_RNA) where: Base-Base interactions energy: -135.965 where: short stacking energy: -120.846 Base-Backbone interact. energy: 3.024 local terms energy: -261.845468 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -77.609 flat angles C4'-P-C4' energy: -71.768 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: 1.612 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: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1561.494376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.494376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.494376 (E_RNA) where: Base-Base interactions energy: -1036.088 where: short stacking energy: -492.092 Base-Backbone interact. energy: -2.592 local terms energy: -522.814071 where: bonds (distance) C4'-P energy: -98.777 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -103.864 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -153.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1468.029314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.029314 (E_RNA) where: Base-Base interactions energy: -998.393 where: short stacking energy: -425.026 Base-Backbone interact. energy: -2.463 local terms energy: -467.173060 where: bonds (distance) C4'-P energy: -90.522 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -97.962 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: -123.421 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: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1316.237311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.237311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.237311 (E_RNA) where: Base-Base interactions energy: -836.236 where: short stacking energy: -391.315 Base-Backbone interact. energy: -1.323 local terms energy: -478.678195 where: bonds (distance) C4'-P energy: -85.094 bonds (distance) P-C4' energy: -105.167 flat angles C4'-P-C4' energy: -104.175 flat angles P-C4'-P energy: -66.109 tors. eta vs tors. theta energy: -118.132 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: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1289.421356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.421356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.421356 (E_RNA) where: Base-Base interactions energy: -840.585 where: short stacking energy: -402.135 Base-Backbone interact. energy: -1.259 local terms energy: -447.577739 where: bonds (distance) C4'-P energy: -76.095 bonds (distance) P-C4' energy: -95.931 flat angles C4'-P-C4' energy: -101.506 flat angles P-C4'-P energy: -71.985 tors. eta vs tors. theta energy: -102.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1066.956416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.956416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.956416 (E_RNA) where: Base-Base interactions energy: -667.955 where: short stacking energy: -328.651 Base-Backbone interact. energy: -0.722 local terms energy: -398.280121 where: bonds (distance) C4'-P energy: -89.565 bonds (distance) P-C4' energy: -83.414 flat angles C4'-P-C4' energy: -92.029 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -88.236 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: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -975.589432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.589432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.589432 (E_RNA) where: Base-Base interactions energy: -616.254 where: short stacking energy: -285.916 Base-Backbone interact. energy: -0.455 local terms energy: -358.879999 where: bonds (distance) C4'-P energy: -78.836 bonds (distance) P-C4' energy: -88.119 flat angles C4'-P-C4' energy: -78.750 flat angles P-C4'-P energy: -57.822 tors. eta vs tors. theta energy: -55.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -933.520627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.520627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.520627 (E_RNA) where: Base-Base interactions energy: -570.291 where: short stacking energy: -296.726 Base-Backbone interact. energy: -1.574 local terms energy: -361.655553 where: bonds (distance) C4'-P energy: -71.558 bonds (distance) P-C4' energy: -93.189 flat angles C4'-P-C4' energy: -76.614 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -64.617 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: 292 Temperature: 1.250000 Total energy: -655.298857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.298857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.298857 (E_RNA) where: Base-Base interactions energy: -354.332 where: short stacking energy: -200.806 Base-Backbone interact. energy: 0.667 local terms energy: -301.634047 where: bonds (distance) C4'-P energy: -84.432 bonds (distance) P-C4' energy: -96.276 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -33.264 tors. eta vs tors. theta energy: -21.700 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: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -522.360983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.360983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.360983 (E_RNA) where: Base-Base interactions energy: -243.426 where: short stacking energy: -116.228 Base-Backbone interact. energy: -1.181 local terms energy: -277.753970 where: bonds (distance) C4'-P energy: -83.090 bonds (distance) P-C4' energy: -89.506 flat angles C4'-P-C4' energy: -51.118 flat angles P-C4'-P energy: -53.690 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -356.977830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.977830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.977830 (E_RNA) where: Base-Base interactions energy: -125.252 where: short stacking energy: -90.036 Base-Backbone interact. energy: -0.956 local terms energy: -230.769297 where: bonds (distance) C4'-P energy: -71.008 bonds (distance) P-C4' energy: -85.374 flat angles C4'-P-C4' energy: -63.455 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: 30.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1557.349225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.349225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.349225 (E_RNA) where: Base-Base interactions energy: -1045.406 where: short stacking energy: -481.093 Base-Backbone interact. energy: -2.591 local terms energy: -509.351602 where: bonds (distance) C4'-P energy: -85.293 bonds (distance) P-C4' energy: -89.450 flat angles C4'-P-C4' energy: -111.590 flat angles P-C4'-P energy: -77.839 tors. eta vs tors. theta energy: -145.180 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: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1479.586468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.586468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.586468 (E_RNA) where: Base-Base interactions energy: -1018.199 where: short stacking energy: -445.020 Base-Backbone interact. energy: 2.550 local terms energy: -463.937593 where: bonds (distance) C4'-P energy: -84.362 bonds (distance) P-C4' energy: -95.142 flat angles C4'-P-C4' energy: -104.348 flat angles P-C4'-P energy: -60.952 tors. eta vs tors. theta energy: -119.134 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: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1339.583203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.583203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.583203 (E_RNA) where: Base-Base interactions energy: -858.105 where: short stacking energy: -425.415 Base-Backbone interact. energy: -0.577 local terms energy: -480.901179 where: bonds (distance) C4'-P energy: -83.353 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -101.762 flat angles P-C4'-P energy: -73.146 tors. eta vs tors. theta energy: -130.423 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: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1238.499659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.499659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.499659 (E_RNA) where: Base-Base interactions energy: -801.756 where: short stacking energy: -399.517 Base-Backbone interact. energy: -2.172 local terms energy: -434.571590 where: bonds (distance) C4'-P energy: -74.665 bonds (distance) P-C4' energy: -93.917 flat angles C4'-P-C4' energy: -103.327 flat angles P-C4'-P energy: -54.571 tors. eta vs tors. theta energy: -108.092 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: 293 Temperature: 1.100000 Total energy: -1050.034257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.034257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.034257 (E_RNA) where: Base-Base interactions energy: -666.105 where: short stacking energy: -317.272 Base-Backbone interact. energy: 0.144 local terms energy: -384.073848 where: bonds (distance) C4'-P energy: -87.093 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -84.788 flat angles P-C4'-P energy: -48.835 tors. eta vs tors. theta energy: -79.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1024.358662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.358662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.358662 (E_RNA) where: Base-Base interactions energy: -626.331 where: short stacking energy: -293.212 Base-Backbone interact. energy: -1.902 local terms energy: -396.125943 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -93.645 flat angles C4'-P-C4' energy: -88.936 flat angles P-C4'-P energy: -56.719 tors. eta vs tors. theta energy: -70.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -910.376183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.376183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.376183 (E_RNA) where: Base-Base interactions energy: -541.064 where: short stacking energy: -256.743 Base-Backbone interact. energy: 0.676 local terms energy: -369.988781 where: bonds (distance) C4'-P energy: -77.877 bonds (distance) P-C4' energy: -96.715 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -60.984 tors. eta vs tors. theta energy: -67.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -712.167869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.167869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.167869 (E_RNA) where: Base-Base interactions energy: -379.259 where: short stacking energy: -198.325 Base-Backbone interact. energy: 0.431 local terms energy: -333.339319 where: bonds (distance) C4'-P energy: -79.054 bonds (distance) P-C4' energy: -92.388 flat angles C4'-P-C4' energy: -66.610 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: -26.994 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: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -538.796747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.796747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.796747 (E_RNA) where: Base-Base interactions energy: -238.804 where: short stacking energy: -152.849 Base-Backbone interact. energy: 1.569 local terms energy: -301.561745 where: bonds (distance) C4'-P energy: -86.626 bonds (distance) P-C4' energy: -92.529 flat angles C4'-P-C4' energy: -76.047 flat angles P-C4'-P energy: -36.043 tors. eta vs tors. theta energy: -10.317 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: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -362.356487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.356487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.356487 (E_RNA) where: Base-Base interactions energy: -137.396 where: short stacking energy: -128.718 Base-Backbone interact. energy: -0.537 local terms energy: -224.423672 where: bonds (distance) C4'-P energy: -79.937 bonds (distance) P-C4' energy: -85.200 flat angles C4'-P-C4' energy: -60.989 flat angles P-C4'-P energy: -24.041 tors. eta vs tors. theta energy: 25.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1551.575249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.575249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.575249 (E_RNA) where: Base-Base interactions energy: -1042.858 where: short stacking energy: -476.342 Base-Backbone interact. energy: -0.894 local terms energy: -507.823514 where: bonds (distance) C4'-P energy: -102.327 bonds (distance) P-C4' energy: -90.434 flat angles C4'-P-C4' energy: -111.187 flat angles P-C4'-P energy: -62.915 tors. eta vs tors. theta energy: -140.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1471.639667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.639667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.639667 (E_RNA) where: Base-Base interactions energy: -1009.430 where: short stacking energy: -442.818 Base-Backbone interact. energy: 1.571 local terms energy: -463.780529 where: bonds (distance) C4'-P energy: -80.488 bonds (distance) P-C4' energy: -97.429 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -114.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1333.651426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.651426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.651426 (E_RNA) where: Base-Base interactions energy: -863.575 where: short stacking energy: -412.968 Base-Backbone interact. energy: 0.492 local terms energy: -470.568914 where: bonds (distance) C4'-P energy: -88.156 bonds (distance) P-C4' energy: -104.754 flat angles C4'-P-C4' energy: -91.666 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -121.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1253.072030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.072030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.072030 (E_RNA) where: Base-Base interactions energy: -810.818 where: short stacking energy: -392.344 Base-Backbone interact. energy: -0.105 local terms energy: -442.149629 where: bonds (distance) C4'-P energy: -82.428 bonds (distance) P-C4' energy: -91.329 flat angles C4'-P-C4' energy: -105.434 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -95.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1115.224288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.224288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.224288 (E_RNA) where: Base-Base interactions energy: -684.633 where: short stacking energy: -332.411 Base-Backbone interact. energy: -0.093 local terms energy: -430.498344 where: bonds (distance) C4'-P energy: -87.542 bonds (distance) P-C4' energy: -94.430 flat angles C4'-P-C4' energy: -98.671 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -81.116 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: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -994.346071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.346071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.346071 (E_RNA) where: Base-Base interactions energy: -622.014 where: short stacking energy: -280.951 Base-Backbone interact. energy: -0.566 local terms energy: -371.766121 where: bonds (distance) C4'-P energy: -86.451 bonds (distance) P-C4' energy: -78.162 flat angles C4'-P-C4' energy: -84.027 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -64.595 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: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -897.854211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.854211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.854211 (E_RNA) where: Base-Base interactions energy: -544.173 where: short stacking energy: -281.342 Base-Backbone interact. energy: 1.117 local terms energy: -354.798896 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -78.800 flat angles C4'-P-C4' energy: -97.172 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -68.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -589.443986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.443986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.443986 (E_RNA) where: Base-Base interactions energy: -303.804 where: short stacking energy: -159.845 Base-Backbone interact. energy: 0.979 local terms energy: -286.619735 where: bonds (distance) C4'-P energy: -70.249 bonds (distance) P-C4' energy: -76.880 flat angles C4'-P-C4' energy: -84.694 flat angles P-C4'-P energy: -34.623 tors. eta vs tors. theta energy: -20.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -515.890600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.890600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.890600 (E_RNA) where: Base-Base interactions energy: -251.566 where: short stacking energy: -148.333 Base-Backbone interact. energy: -0.965 local terms energy: -263.358663 where: bonds (distance) C4'-P energy: -64.728 bonds (distance) P-C4' energy: -85.370 flat angles C4'-P-C4' energy: -64.102 flat angles P-C4'-P energy: -43.593 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -408.873383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.873383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.873383 (E_RNA) where: Base-Base interactions energy: -155.279 where: short stacking energy: -92.181 Base-Backbone interact. energy: 1.022 local terms energy: -254.616307 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -96.101 flat angles C4'-P-C4' energy: -65.589 flat angles P-C4'-P energy: -35.332 tors. eta vs tors. theta energy: 15.517 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: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1551.347377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.347377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.347377 (E_RNA) where: Base-Base interactions energy: -1039.634 where: short stacking energy: -472.564 Base-Backbone interact. energy: -0.694 local terms energy: -511.018614 where: bonds (distance) C4'-P energy: -74.122 bonds (distance) P-C4' energy: -98.541 flat angles C4'-P-C4' energy: -111.369 flat angles P-C4'-P energy: -79.768 tors. eta vs tors. theta energy: -147.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1475.467858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.467858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.467858 (E_RNA) where: Base-Base interactions energy: -990.195 where: short stacking energy: -427.094 Base-Backbone interact. energy: -2.933 local terms energy: -482.340096 where: bonds (distance) C4'-P energy: -93.239 bonds (distance) P-C4' energy: -101.725 flat angles C4'-P-C4' energy: -110.115 flat angles P-C4'-P energy: -60.821 tors. eta vs tors. theta energy: -116.441 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: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1308.548267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.548267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.548267 (E_RNA) where: Base-Base interactions energy: -846.421 where: short stacking energy: -404.434 Base-Backbone interact. energy: -0.434 local terms energy: -461.692998 where: bonds (distance) C4'-P energy: -96.205 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -110.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1227.146903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.146903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.146903 (E_RNA) where: Base-Base interactions energy: -788.921 where: short stacking energy: -347.639 Base-Backbone interact. energy: -3.229 local terms energy: -434.996313 where: bonds (distance) C4'-P energy: -85.469 bonds (distance) P-C4' energy: -87.178 flat angles C4'-P-C4' energy: -98.150 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: -101.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1089.553248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.553248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.553248 (E_RNA) where: Base-Base interactions energy: -674.752 where: short stacking energy: -327.019 Base-Backbone interact. energy: -1.471 local terms energy: -413.330528 where: bonds (distance) C4'-P energy: -87.940 bonds (distance) P-C4' energy: -90.061 flat angles C4'-P-C4' energy: -91.417 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -87.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1036.827167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.827167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.827167 (E_RNA) where: Base-Base interactions energy: -660.630 where: short stacking energy: -313.152 Base-Backbone interact. energy: -3.105 local terms energy: -373.091797 where: bonds (distance) C4'-P energy: -73.354 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -93.617 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -79.459 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: 2 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -913.764455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.764455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.764455 (E_RNA) where: Base-Base interactions energy: -542.810 where: short stacking energy: -273.519 Base-Backbone interact. energy: -1.384 local terms energy: -369.570397 where: bonds (distance) C4'-P energy: -97.062 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -92.734 flat angles P-C4'-P energy: -50.486 tors. eta vs tors. theta energy: -57.588 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: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -612.057569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.057569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.057569 (E_RNA) where: Base-Base interactions energy: -294.426 where: short stacking energy: -182.984 Base-Backbone interact. energy: 1.127 local terms energy: -318.758145 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -89.891 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -42.483 tors. eta vs tors. theta energy: -33.175 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: 295 Temperature: 1.300000 Total energy: -539.694088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.694088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.694088 (E_RNA) where: Base-Base interactions energy: -254.593 where: short stacking energy: -133.759 Base-Backbone interact. energy: 0.597 local terms energy: -285.698048 where: bonds (distance) C4'-P energy: -84.220 bonds (distance) P-C4' energy: -90.697 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -48.363 tors. eta vs tors. theta energy: 13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -375.381431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.381431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.381431 (E_RNA) where: Base-Base interactions energy: -148.090 where: short stacking energy: -115.146 Base-Backbone interact. energy: 6.132 local terms energy: -233.423999 where: bonds (distance) C4'-P energy: -76.962 bonds (distance) P-C4' energy: -86.733 flat angles C4'-P-C4' energy: -56.981 flat angles P-C4'-P energy: -34.362 tors. eta vs tors. theta energy: 21.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1526.119895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.119895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.119895 (E_RNA) where: Base-Base interactions energy: -1027.222 where: short stacking energy: -420.894 Base-Backbone interact. energy: 1.146 local terms energy: -500.043625 where: bonds (distance) C4'-P energy: -95.425 bonds (distance) P-C4' energy: -93.726 flat angles C4'-P-C4' energy: -95.522 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -130.959 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: 296 Temperature: 0.950000 Total energy: -1540.129526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.129526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.129526 (E_RNA) where: Base-Base interactions energy: -1016.463 where: short stacking energy: -468.497 Base-Backbone interact. energy: -2.065 local terms energy: -521.602255 where: bonds (distance) C4'-P energy: -102.149 bonds (distance) P-C4' energy: -94.306 flat angles C4'-P-C4' energy: -117.583 flat angles P-C4'-P energy: -61.341 tors. eta vs tors. theta energy: -146.224 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: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1302.667149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.667149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.667149 (E_RNA) where: Base-Base interactions energy: -852.928 where: short stacking energy: -422.275 Base-Backbone interact. energy: -0.679 local terms energy: -449.060756 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -85.158 flat angles C4'-P-C4' energy: -102.493 flat angles P-C4'-P energy: -67.143 tors. eta vs tors. theta energy: -108.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1260.177537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.177537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.177537 (E_RNA) where: Base-Base interactions energy: -802.380 where: short stacking energy: -404.098 Base-Backbone interact. energy: -1.891 local terms energy: -455.906749 where: bonds (distance) C4'-P energy: -89.081 bonds (distance) P-C4' energy: -93.103 flat angles C4'-P-C4' energy: -99.685 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -116.185 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: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1092.486824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.486824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.486824 (E_RNA) where: Base-Base interactions energy: -707.916 where: short stacking energy: -342.450 Base-Backbone interact. energy: 0.217 local terms energy: -384.787703 where: bonds (distance) C4'-P energy: -84.388 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -54.075 tors. eta vs tors. theta energy: -77.771 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: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1061.866537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.866537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.866537 (E_RNA) where: Base-Base interactions energy: -657.206 where: short stacking energy: -311.256 Base-Backbone interact. energy: -1.848 local terms energy: -402.812953 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -96.365 flat angles C4'-P-C4' energy: -83.146 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -78.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -896.419814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.419814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.419814 (E_RNA) where: Base-Base interactions energy: -571.258 where: short stacking energy: -255.064 Base-Backbone interact. energy: 0.555 local terms energy: -325.717053 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -82.901 flat angles C4'-P-C4' energy: -78.305 flat angles P-C4'-P energy: -33.280 tors. eta vs tors. theta energy: -50.294 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: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -614.660539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.660539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.660539 (E_RNA) where: Base-Base interactions energy: -297.748 where: short stacking energy: -161.590 Base-Backbone interact. energy: 2.181 local terms energy: -319.093512 where: bonds (distance) C4'-P energy: -86.802 bonds (distance) P-C4' energy: -84.991 flat angles C4'-P-C4' energy: -87.380 flat angles P-C4'-P energy: -40.617 tors. eta vs tors. theta energy: -19.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -528.727248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.727248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.727248 (E_RNA) where: Base-Base interactions energy: -255.138 where: short stacking energy: -156.156 Base-Backbone interact. energy: 0.022 local terms energy: -273.611232 where: bonds (distance) C4'-P energy: -73.749 bonds (distance) P-C4' energy: -88.481 flat angles C4'-P-C4' energy: -49.054 flat angles P-C4'-P energy: -48.908 tors. eta vs tors. theta energy: -13.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -379.349544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.349544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.349544 (E_RNA) where: Base-Base interactions energy: -138.131 where: short stacking energy: -109.704 Base-Backbone interact. energy: 0.569 local terms energy: -241.787581 where: bonds (distance) C4'-P energy: -86.021 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -48.769 flat angles P-C4'-P energy: -31.794 tors. eta vs tors. theta energy: 23.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1538.452725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.452725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.452725 (E_RNA) where: Base-Base interactions energy: -1034.501 where: short stacking energy: -439.107 Base-Backbone interact. energy: -0.703 local terms energy: -503.248321 where: bonds (distance) C4'-P energy: -94.746 bonds (distance) P-C4' energy: -91.449 flat angles C4'-P-C4' energy: -108.531 flat angles P-C4'-P energy: -84.758 tors. eta vs tors. theta energy: -123.765 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: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1508.497236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.497236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.497236 (E_RNA) where: Base-Base interactions energy: -991.189 where: short stacking energy: -459.325 Base-Backbone interact. energy: 1.687 local terms energy: -518.994521 where: bonds (distance) C4'-P energy: -94.111 bonds (distance) P-C4' energy: -91.547 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -141.974 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: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1299.223754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.223754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.223754 (E_RNA) where: Base-Base interactions energy: -826.611 where: short stacking energy: -407.308 Base-Backbone interact. energy: -0.415 local terms energy: -472.197735 where: bonds (distance) C4'-P energy: -95.693 bonds (distance) P-C4' energy: -89.541 flat angles C4'-P-C4' energy: -98.412 flat angles P-C4'-P energy: -69.838 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: 4, replica: 5 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1234.023202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.023202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.023202 (E_RNA) where: Base-Base interactions energy: -769.471 where: short stacking energy: -374.143 Base-Backbone interact. energy: -0.142 local terms energy: -464.410405 where: bonds (distance) C4'-P energy: -90.060 bonds (distance) P-C4' energy: -88.358 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -111.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1080.606038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.606038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.606038 (E_RNA) where: Base-Base interactions energy: -688.635 where: short stacking energy: -304.951 Base-Backbone interact. energy: -1.777 local terms energy: -390.193686 where: bonds (distance) C4'-P energy: -82.391 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -81.815 flat angles P-C4'-P energy: -60.013 tors. eta vs tors. theta energy: -85.107 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: 297 Temperature: 1.150000 Total energy: -942.903512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.903512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.903512 (E_RNA) where: Base-Base interactions energy: -596.425 where: short stacking energy: -293.652 Base-Backbone interact. energy: 4.758 local terms energy: -351.236963 where: bonds (distance) C4'-P energy: -75.339 bonds (distance) P-C4' energy: -84.768 flat angles C4'-P-C4' energy: -77.977 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -65.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -967.415207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.415207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.415207 (E_RNA) where: Base-Base interactions energy: -610.231 where: short stacking energy: -277.467 Base-Backbone interact. energy: 0.060 local terms energy: -357.244155 where: bonds (distance) C4'-P energy: -77.583 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -88.090 flat angles P-C4'-P energy: -37.909 tors. eta vs tors. theta energy: -67.083 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: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -609.726570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.726570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.726570 (E_RNA) where: Base-Base interactions energy: -320.351 where: short stacking energy: -179.894 Base-Backbone interact. energy: 0.164 local terms energy: -289.538927 where: bonds (distance) C4'-P energy: -72.471 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -71.085 flat angles P-C4'-P energy: -33.880 tors. eta vs tors. theta energy: -29.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -518.532207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.532207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.532207 (E_RNA) where: Base-Base interactions energy: -231.724 where: short stacking energy: -153.111 Base-Backbone interact. energy: -1.956 local terms energy: -284.852548 where: bonds (distance) C4'-P energy: -85.485 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -78.956 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -380.714317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.714317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.714317 (E_RNA) where: Base-Base interactions energy: -104.409 where: short stacking energy: -95.629 Base-Backbone interact. energy: -0.461 local terms energy: -275.844856 where: bonds (distance) C4'-P energy: -85.174 bonds (distance) P-C4' energy: -87.577 flat angles C4'-P-C4' energy: -71.389 flat angles P-C4'-P energy: -50.780 tors. eta vs tors. theta energy: 19.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1530.069065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.069065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.069065 (E_RNA) where: Base-Base interactions energy: -1034.844 where: short stacking energy: -460.867 Base-Backbone interact. energy: -2.442 local terms energy: -492.782909 where: bonds (distance) C4'-P energy: -103.071 bonds (distance) P-C4' energy: -88.283 flat angles C4'-P-C4' energy: -109.875 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -122.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1454.883374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.883374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.883374 (E_RNA) where: Base-Base interactions energy: -948.940 where: short stacking energy: -432.947 Base-Backbone interact. energy: 1.116 local terms energy: -507.059155 where: bonds (distance) C4'-P energy: -101.685 bonds (distance) P-C4' energy: -89.306 flat angles C4'-P-C4' energy: -101.040 flat angles P-C4'-P energy: -81.724 tors. eta vs tors. theta energy: -133.304 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: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1316.159048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.159048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.159048 (E_RNA) where: Base-Base interactions energy: -851.431 where: short stacking energy: -421.624 Base-Backbone interact. energy: 2.979 local terms energy: -467.707459 where: bonds (distance) C4'-P energy: -72.634 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -107.493 flat angles P-C4'-P energy: -71.226 tors. eta vs tors. theta energy: -115.059 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: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1214.919124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.919124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.919124 (E_RNA) where: Base-Base interactions energy: -778.582 where: short stacking energy: -380.227 Base-Backbone interact. energy: -2.483 local terms energy: -433.854256 where: bonds (distance) C4'-P energy: -90.950 bonds (distance) P-C4' energy: -84.790 flat angles C4'-P-C4' energy: -98.352 flat angles P-C4'-P energy: -57.497 tors. eta vs tors. theta energy: -102.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1064.987911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.987911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.987911 (E_RNA) where: Base-Base interactions energy: -656.835 where: short stacking energy: -312.756 Base-Backbone interact. energy: -0.712 local terms energy: -407.441231 where: bonds (distance) C4'-P energy: -87.576 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -94.300 flat angles P-C4'-P energy: -55.401 tors. eta vs tors. theta energy: -72.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1000.980467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.980467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.980467 (E_RNA) where: Base-Base interactions energy: -630.501 where: short stacking energy: -300.808 Base-Backbone interact. energy: 1.112 local terms energy: -371.591969 where: bonds (distance) C4'-P energy: -83.371 bonds (distance) P-C4' energy: -93.942 flat angles C4'-P-C4' energy: -79.056 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -52.102 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: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -980.195851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.195851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.195851 (E_RNA) where: Base-Base interactions energy: -640.336 where: short stacking energy: -280.986 Base-Backbone interact. energy: -0.413 local terms energy: -339.447589 where: bonds (distance) C4'-P energy: -70.421 bonds (distance) P-C4' energy: -80.513 flat angles C4'-P-C4' energy: -64.222 flat angles P-C4'-P energy: -70.862 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: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -558.797027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.797027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.797027 (E_RNA) where: Base-Base interactions energy: -271.418 where: short stacking energy: -169.449 Base-Backbone interact. energy: 0.304 local terms energy: -287.682838 where: bonds (distance) C4'-P energy: -84.874 bonds (distance) P-C4' energy: -86.323 flat angles C4'-P-C4' energy: -74.229 flat angles P-C4'-P energy: -40.152 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: 9, replica: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -500.213407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.213407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.213407 (E_RNA) where: Base-Base interactions energy: -243.056 where: short stacking energy: -132.531 Base-Backbone interact. energy: 1.046 local terms energy: -258.203638 where: bonds (distance) C4'-P energy: -79.243 bonds (distance) P-C4' energy: -80.831 flat angles C4'-P-C4' energy: -71.545 flat angles P-C4'-P energy: -30.859 tors. eta vs tors. theta energy: 4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -380.587330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.587330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.587330 (E_RNA) where: Base-Base interactions energy: -116.788 where: short stacking energy: -102.340 Base-Backbone interact. energy: 0.525 local terms energy: -264.324256 where: bonds (distance) C4'-P energy: -81.027 bonds (distance) P-C4' energy: -88.662 flat angles C4'-P-C4' energy: -65.494 flat angles P-C4'-P energy: -33.290 tors. eta vs tors. theta energy: 4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1536.769130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.769130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.769130 (E_RNA) where: Base-Base interactions energy: -1047.013 where: short stacking energy: -430.865 Base-Backbone interact. energy: -3.280 local terms energy: -486.476097 where: bonds (distance) C4'-P energy: -95.919 bonds (distance) P-C4' energy: -93.024 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -68.803 tors. eta vs tors. theta energy: -122.907 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: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1452.750829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.750829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.750829 (E_RNA) where: Base-Base interactions energy: -993.531 where: short stacking energy: -434.871 Base-Backbone interact. energy: -1.068 local terms energy: -458.151152 where: bonds (distance) C4'-P energy: -81.774 bonds (distance) P-C4' energy: -91.402 flat angles C4'-P-C4' energy: -102.409 flat angles P-C4'-P energy: -56.576 tors. eta vs tors. theta energy: -125.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1320.884562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.884562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.884562 (E_RNA) where: Base-Base interactions energy: -876.352 where: short stacking energy: -389.629 Base-Backbone interact. energy: 3.995 local terms energy: -448.527693 where: bonds (distance) C4'-P energy: -86.154 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -99.985 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: -99.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1221.564698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.564698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.564698 (E_RNA) where: Base-Base interactions energy: -777.021 where: short stacking energy: -375.470 Base-Backbone interact. energy: -1.358 local terms energy: -443.185604 where: bonds (distance) C4'-P energy: -92.922 bonds (distance) P-C4' energy: -89.152 flat angles C4'-P-C4' energy: -91.450 flat angles P-C4'-P energy: -59.344 tors. eta vs tors. theta energy: -110.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1089.433525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.433525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.433525 (E_RNA) where: Base-Base interactions energy: -713.052 where: short stacking energy: -313.915 Base-Backbone interact. energy: -2.417 local terms energy: -373.965071 where: bonds (distance) C4'-P energy: -81.215 bonds (distance) P-C4' energy: -85.663 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -76.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -949.407487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.407487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.407487 (E_RNA) where: Base-Base interactions energy: -599.468 where: short stacking energy: -291.989 Base-Backbone interact. energy: -3.554 local terms energy: -346.386028 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -76.078 flat angles C4'-P-C4' energy: -85.290 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -68.181 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: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -946.943118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.943118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.943118 (E_RNA) where: Base-Base interactions energy: -606.562 where: short stacking energy: -282.549 Base-Backbone interact. energy: 3.994 local terms energy: -344.374928 where: bonds (distance) C4'-P energy: -83.992 bonds (distance) P-C4' energy: -99.732 flat angles C4'-P-C4' energy: -66.102 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -45.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -597.849752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.849752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.849752 (E_RNA) where: Base-Base interactions energy: -269.694 where: short stacking energy: -173.398 Base-Backbone interact. energy: 0.578 local terms energy: -328.733559 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -84.675 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -57.752 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -482.483627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.483627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.483627 (E_RNA) where: Base-Base interactions energy: -201.234 where: short stacking energy: -135.291 Base-Backbone interact. energy: 1.682 local terms energy: -282.931994 where: bonds (distance) C4'-P energy: -83.236 bonds (distance) P-C4' energy: -78.609 flat angles C4'-P-C4' energy: -76.389 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: 1.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -370.966735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.966735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.966735 (E_RNA) where: Base-Base interactions energy: -113.428 where: short stacking energy: -88.716 Base-Backbone interact. energy: 1.591 local terms energy: -259.129853 where: bonds (distance) C4'-P energy: -90.429 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -67.136 flat angles P-C4'-P energy: -23.746 tors. eta vs tors. theta energy: 27.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1542.935427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.935427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.935427 (E_RNA) where: Base-Base interactions energy: -1045.744 where: short stacking energy: -441.921 Base-Backbone interact. energy: 0.161 local terms energy: -497.353227 where: bonds (distance) C4'-P energy: -93.201 bonds (distance) P-C4' energy: -88.015 flat angles C4'-P-C4' energy: -116.827 flat angles P-C4'-P energy: -75.908 tors. eta vs tors. theta energy: -123.403 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: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1467.229686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.229686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.229686 (E_RNA) where: Base-Base interactions energy: -978.972 where: short stacking energy: -427.687 Base-Backbone interact. energy: -0.154 local terms energy: -488.103984 where: bonds (distance) C4'-P energy: -92.046 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -105.867 flat angles P-C4'-P energy: -72.615 tors. eta vs tors. theta energy: -131.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1333.696123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.696123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.696123 (E_RNA) where: Base-Base interactions energy: -879.131 where: short stacking energy: -419.027 Base-Backbone interact. energy: -1.734 local terms energy: -452.831561 where: bonds (distance) C4'-P energy: -89.560 bonds (distance) P-C4' energy: -87.576 flat angles C4'-P-C4' energy: -101.052 flat angles P-C4'-P energy: -65.358 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1216.208305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.208305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.208305 (E_RNA) where: Base-Base interactions energy: -793.354 where: short stacking energy: -392.916 Base-Backbone interact. energy: 0.845 local terms energy: -423.699974 where: bonds (distance) C4'-P energy: -78.442 bonds (distance) P-C4' energy: -85.552 flat angles C4'-P-C4' energy: -98.302 flat angles P-C4'-P energy: -53.539 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: 300 Temperature: 1.100000 Total energy: -1059.905780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.905780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.905780 (E_RNA) where: Base-Base interactions energy: -673.354 where: short stacking energy: -319.687 Base-Backbone interact. energy: -0.924 local terms energy: -385.627289 where: bonds (distance) C4'-P energy: -90.872 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -93.113 flat angles P-C4'-P energy: -53.240 tors. eta vs tors. theta energy: -71.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -931.602092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.602092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.602092 (E_RNA) where: Base-Base interactions energy: -564.177 where: short stacking energy: -285.713 Base-Backbone interact. energy: 2.065 local terms energy: -369.490237 where: bonds (distance) C4'-P energy: -87.322 bonds (distance) P-C4' energy: -82.788 flat angles C4'-P-C4' energy: -85.864 flat angles P-C4'-P energy: -56.538 tors. eta vs tors. theta energy: -56.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -938.066636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.066636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.066636 (E_RNA) where: Base-Base interactions energy: -580.007 where: short stacking energy: -259.287 Base-Backbone interact. energy: -1.251 local terms energy: -356.808426 where: bonds (distance) C4'-P energy: -76.903 bonds (distance) P-C4' energy: -80.375 flat angles C4'-P-C4' energy: -86.682 flat angles P-C4'-P energy: -43.348 tors. eta vs tors. theta energy: -69.500 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: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -556.206046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.206046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.206046 (E_RNA) where: Base-Base interactions energy: -297.840 where: short stacking energy: -180.657 Base-Backbone interact. energy: 5.851 local terms energy: -264.217835 where: bonds (distance) C4'-P energy: -69.567 bonds (distance) P-C4' energy: -86.444 flat angles C4'-P-C4' energy: -76.668 flat angles P-C4'-P energy: -32.601 tors. eta vs tors. theta energy: 1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -436.206518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.206518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.206518 (E_RNA) where: Base-Base interactions energy: -190.862 where: short stacking energy: -127.745 Base-Backbone interact. energy: -0.552 local terms energy: -244.793187 where: bonds (distance) C4'-P energy: -77.094 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -76.635 flat angles P-C4'-P energy: -41.611 tors. eta vs tors. theta energy: 15.343 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: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -358.757498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.757498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.757498 (E_RNA) where: Base-Base interactions energy: -122.335 where: short stacking energy: -101.863 Base-Backbone interact. energy: -1.133 local terms energy: -235.289511 where: bonds (distance) C4'-P energy: -72.530 bonds (distance) P-C4' energy: -78.172 flat angles C4'-P-C4' energy: -58.870 flat angles P-C4'-P energy: -50.890 tors. eta vs tors. theta energy: 25.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1535.247331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.247331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.247331 (E_RNA) where: Base-Base interactions energy: -1051.337 where: short stacking energy: -440.299 Base-Backbone interact. energy: 2.017 local terms energy: -485.927471 where: bonds (distance) C4'-P energy: -92.324 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -106.143 flat angles P-C4'-P energy: -63.824 tors. eta vs tors. theta energy: -126.824 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: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1464.830385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.830385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.830385 (E_RNA) where: Base-Base interactions energy: -966.707 where: short stacking energy: -443.438 Base-Backbone interact. energy: -1.292 local terms energy: -496.831295 where: bonds (distance) C4'-P energy: -84.901 bonds (distance) P-C4' energy: -97.692 flat angles C4'-P-C4' energy: -102.000 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -140.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1325.035686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.035686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.035686 (E_RNA) where: Base-Base interactions energy: -872.813 where: short stacking energy: -417.128 Base-Backbone interact. energy: -0.683 local terms energy: -451.539804 where: bonds (distance) C4'-P energy: -81.387 bonds (distance) P-C4' energy: -91.900 flat angles C4'-P-C4' energy: -102.200 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -115.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1216.780670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.780670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.780670 (E_RNA) where: Base-Base interactions energy: -797.846 where: short stacking energy: -374.590 Base-Backbone interact. energy: -0.947 local terms energy: -417.987359 where: bonds (distance) C4'-P energy: -88.910 bonds (distance) P-C4' energy: -63.279 flat angles C4'-P-C4' energy: -94.398 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -104.107 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: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1080.533367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.533367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.533367 (E_RNA) where: Base-Base interactions energy: -672.366 where: short stacking energy: -335.515 Base-Backbone interact. energy: 0.330 local terms energy: -408.496859 where: bonds (distance) C4'-P energy: -82.488 bonds (distance) P-C4' energy: -81.608 flat angles C4'-P-C4' energy: -92.543 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -93.729 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: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1021.577282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.577282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.577282 (E_RNA) where: Base-Base interactions energy: -643.802 where: short stacking energy: -300.986 Base-Backbone interact. energy: 2.263 local terms energy: -380.038401 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -86.671 flat angles C4'-P-C4' energy: -92.065 flat angles P-C4'-P energy: -57.592 tors. eta vs tors. theta energy: -62.626 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: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -871.827303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.827303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.827303 (E_RNA) where: Base-Base interactions energy: -544.769 where: short stacking energy: -252.106 Base-Backbone interact. energy: -0.857 local terms energy: -326.201413 where: bonds (distance) C4'-P energy: -82.026 bonds (distance) P-C4' energy: -79.375 flat angles C4'-P-C4' energy: -73.868 flat angles P-C4'-P energy: -42.799 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: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -618.680922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.680922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.680922 (E_RNA) where: Base-Base interactions energy: -296.323 where: short stacking energy: -168.867 Base-Backbone interact. energy: -1.986 local terms energy: -320.372492 where: bonds (distance) C4'-P energy: -82.503 bonds (distance) P-C4' energy: -87.941 flat angles C4'-P-C4' energy: -83.621 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -8.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -426.040690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.040690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.040690 (E_RNA) where: Base-Base interactions energy: -156.889 where: short stacking energy: -99.956 Base-Backbone interact. energy: -0.634 local terms energy: -268.517332 where: bonds (distance) C4'-P energy: -83.910 bonds (distance) P-C4' energy: -79.936 flat angles C4'-P-C4' energy: -64.051 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: 6.824 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: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -418.877770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.877770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.877770 (E_RNA) where: Base-Base interactions energy: -180.394 where: short stacking energy: -111.015 Base-Backbone interact. energy: 2.177 local terms energy: -240.660926 where: bonds (distance) C4'-P energy: -55.353 bonds (distance) P-C4' energy: -84.362 flat angles C4'-P-C4' energy: -54.247 flat angles P-C4'-P energy: -41.537 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1550.288473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.288473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.288473 (E_RNA) where: Base-Base interactions energy: -1057.496 where: short stacking energy: -449.541 Base-Backbone interact. energy: -2.728 local terms energy: -490.064996 where: bonds (distance) C4'-P energy: -90.184 bonds (distance) P-C4' energy: -96.019 flat angles C4'-P-C4' energy: -111.257 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -121.865 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: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1462.748155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.748155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.748155 (E_RNA) where: Base-Base interactions energy: -964.604 where: short stacking energy: -448.087 Base-Backbone interact. energy: -2.883 local terms energy: -495.261783 where: bonds (distance) C4'-P energy: -92.310 bonds (distance) P-C4' energy: -85.322 flat angles C4'-P-C4' energy: -106.473 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -137.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1304.693539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.693539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.693539 (E_RNA) where: Base-Base interactions energy: -854.228 where: short stacking energy: -399.698 Base-Backbone interact. energy: -2.321 local terms energy: -448.144025 where: bonds (distance) C4'-P energy: -90.584 bonds (distance) P-C4' energy: -98.957 flat angles C4'-P-C4' energy: -93.363 flat angles P-C4'-P energy: -69.521 tors. eta vs tors. theta energy: -95.718 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: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1206.847312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.847312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.847312 (E_RNA) where: Base-Base interactions energy: -789.453 where: short stacking energy: -375.178 Base-Backbone interact. energy: -0.916 local terms energy: -416.478199 where: bonds (distance) C4'-P energy: -92.540 bonds (distance) P-C4' energy: -81.888 flat angles C4'-P-C4' energy: -89.841 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: -96.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1081.711696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.711696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.711696 (E_RNA) where: Base-Base interactions energy: -686.315 where: short stacking energy: -321.721 Base-Backbone interact. energy: -1.331 local terms energy: -394.065650 where: bonds (distance) C4'-P energy: -86.528 bonds (distance) P-C4' energy: -94.328 flat angles C4'-P-C4' energy: -104.500 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -70.671 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: 10 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1023.171761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.171761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.171761 (E_RNA) where: Base-Base interactions energy: -633.183 where: short stacking energy: -292.596 Base-Backbone interact. energy: -2.629 local terms energy: -387.359313 where: bonds (distance) C4'-P energy: -83.971 bonds (distance) P-C4' energy: -80.918 flat angles C4'-P-C4' energy: -83.675 flat angles P-C4'-P energy: -73.536 tors. eta vs tors. theta energy: -65.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -846.161097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.161097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.161097 (E_RNA) where: Base-Base interactions energy: -509.059 where: short stacking energy: -243.202 Base-Backbone interact. energy: -0.914 local terms energy: -336.188216 where: bonds (distance) C4'-P energy: -74.995 bonds (distance) P-C4' energy: -86.135 flat angles C4'-P-C4' energy: -94.271 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -34.521 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: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -613.194547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.194547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.194547 (E_RNA) where: Base-Base interactions energy: -327.604 where: short stacking energy: -178.899 Base-Backbone interact. energy: 2.442 local terms energy: -288.032009 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -95.195 flat angles C4'-P-C4' energy: -79.989 flat angles P-C4'-P energy: -24.784 tors. eta vs tors. theta energy: -1.657 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: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -475.118951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.118951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.118951 (E_RNA) where: Base-Base interactions energy: -218.982 where: short stacking energy: -145.669 Base-Backbone interact. energy: -2.028 local terms energy: -254.108709 where: bonds (distance) C4'-P energy: -82.617 bonds (distance) P-C4' energy: -83.124 flat angles C4'-P-C4' energy: -72.198 flat angles P-C4'-P energy: -29.370 tors. eta vs tors. theta energy: 13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -407.895456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.895456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.895456 (E_RNA) where: Base-Base interactions energy: -171.145 where: short stacking energy: -143.425 Base-Backbone interact. energy: 1.734 local terms energy: -238.484201 where: bonds (distance) C4'-P energy: -70.234 bonds (distance) P-C4' energy: -87.329 flat angles C4'-P-C4' energy: -43.544 flat angles P-C4'-P energy: -41.407 tors. eta vs tors. theta energy: 4.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1563.499282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.499282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.499282 (E_RNA) where: Base-Base interactions energy: -1082.274 where: short stacking energy: -466.228 Base-Backbone interact. energy: 4.638 local terms energy: -485.863333 where: bonds (distance) C4'-P energy: -99.723 bonds (distance) P-C4' energy: -91.359 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -62.883 tors. eta vs tors. theta energy: -123.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1504.367277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.367277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.367277 (E_RNA) where: Base-Base interactions energy: -987.746 where: short stacking energy: -451.899 Base-Backbone interact. energy: -0.698 local terms energy: -515.922701 where: bonds (distance) C4'-P energy: -94.116 bonds (distance) P-C4' energy: -98.590 flat angles C4'-P-C4' energy: -102.674 flat angles P-C4'-P energy: -81.084 tors. eta vs tors. theta energy: -139.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1279.805457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.805457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.805457 (E_RNA) where: Base-Base interactions energy: -804.038 where: short stacking energy: -393.024 Base-Backbone interact. energy: -1.352 local terms energy: -474.415721 where: bonds (distance) C4'-P energy: -101.418 bonds (distance) P-C4' energy: -88.189 flat angles C4'-P-C4' energy: -106.435 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -110.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1248.386633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.386633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.386633 (E_RNA) where: Base-Base interactions energy: -825.120 where: short stacking energy: -392.801 Base-Backbone interact. energy: -1.396 local terms energy: -421.870385 where: bonds (distance) C4'-P energy: -89.467 bonds (distance) P-C4' energy: -78.982 flat angles C4'-P-C4' energy: -97.749 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -99.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1081.124629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.124629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.124629 (E_RNA) where: Base-Base interactions energy: -676.875 where: short stacking energy: -312.898 Base-Backbone interact. energy: -1.243 local terms energy: -403.006342 where: bonds (distance) C4'-P energy: -81.413 bonds (distance) P-C4' energy: -79.759 flat angles C4'-P-C4' energy: -94.282 flat angles P-C4'-P energy: -59.265 tors. eta vs tors. theta energy: -88.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1036.674738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.674738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.674738 (E_RNA) where: Base-Base interactions energy: -650.842 where: short stacking energy: -271.668 Base-Backbone interact. energy: -1.280 local terms energy: -384.552071 where: bonds (distance) C4'-P energy: -91.996 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -101.637 flat angles P-C4'-P energy: -37.759 tors. eta vs tors. theta energy: -61.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -909.904569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.904569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.904569 (E_RNA) where: Base-Base interactions energy: -565.969 where: short stacking energy: -260.067 Base-Backbone interact. energy: -1.533 local terms energy: -342.402353 where: bonds (distance) C4'-P energy: -79.863 bonds (distance) P-C4' energy: -93.394 flat angles C4'-P-C4' energy: -88.998 flat angles P-C4'-P energy: -29.661 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: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -634.795884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.795884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.795884 (E_RNA) where: Base-Base interactions energy: -349.913 where: short stacking energy: -174.913 Base-Backbone interact. energy: -0.471 local terms energy: -284.412203 where: bonds (distance) C4'-P energy: -82.215 bonds (distance) P-C4' energy: -86.971 flat angles C4'-P-C4' energy: -62.965 flat angles P-C4'-P energy: -36.475 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: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -513.017873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.017873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.017873 (E_RNA) where: Base-Base interactions energy: -230.546 where: short stacking energy: -143.089 Base-Backbone interact. energy: -1.498 local terms energy: -280.973818 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -91.624 flat angles C4'-P-C4' energy: -71.969 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -367.886495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.886495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.886495 (E_RNA) where: Base-Base interactions energy: -121.273 where: short stacking energy: -100.557 Base-Backbone interact. energy: -1.485 local terms energy: -245.128908 where: bonds (distance) C4'-P energy: -88.031 bonds (distance) P-C4' energy: -82.718 flat angles C4'-P-C4' energy: -63.731 flat angles P-C4'-P energy: -29.415 tors. eta vs tors. theta energy: 18.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1566.600967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.600967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.600967 (E_RNA) where: Base-Base interactions energy: -1093.300 where: short stacking energy: -466.135 Base-Backbone interact. energy: -2.056 local terms energy: -471.244403 where: bonds (distance) C4'-P energy: -99.759 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -97.764 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -123.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1490.210885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.210885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.210885 (E_RNA) where: Base-Base interactions energy: -987.879 where: short stacking energy: -460.237 Base-Backbone interact. energy: 2.973 local terms energy: -505.304873 where: bonds (distance) C4'-P energy: -106.524 bonds (distance) P-C4' energy: -105.335 flat angles C4'-P-C4' energy: -94.420 flat angles P-C4'-P energy: -65.386 tors. eta vs tors. theta energy: -133.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1373.117039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.117039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.117039 (E_RNA) where: Base-Base interactions energy: -902.505 where: short stacking energy: -426.384 Base-Backbone interact. energy: -2.289 local terms energy: -468.323162 where: bonds (distance) C4'-P energy: -82.738 bonds (distance) P-C4' energy: -89.623 flat angles C4'-P-C4' energy: -103.526 flat angles P-C4'-P energy: -70.583 tors. eta vs tors. theta energy: -121.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1200.869456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.869456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.869456 (E_RNA) where: Base-Base interactions energy: -762.366 where: short stacking energy: -350.832 Base-Backbone interact. energy: 4.211 local terms energy: -442.715175 where: bonds (distance) C4'-P energy: -84.642 bonds (distance) P-C4' energy: -85.530 flat angles C4'-P-C4' energy: -96.791 flat angles P-C4'-P energy: -70.777 tors. eta vs tors. theta energy: -104.975 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: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1119.770979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.770979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.770979 (E_RNA) where: Base-Base interactions energy: -713.717 where: short stacking energy: -341.744 Base-Backbone interact. energy: -2.891 local terms energy: -403.163349 where: bonds (distance) C4'-P energy: -81.186 bonds (distance) P-C4' energy: -81.775 flat angles C4'-P-C4' energy: -94.726 flat angles P-C4'-P energy: -56.375 tors. eta vs tors. theta energy: -89.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -993.426834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.426834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.426834 (E_RNA) where: Base-Base interactions energy: -618.910 where: short stacking energy: -292.725 Base-Backbone interact. energy: 0.907 local terms energy: -375.424110 where: bonds (distance) C4'-P energy: -91.192 bonds (distance) P-C4' energy: -79.195 flat angles C4'-P-C4' energy: -86.165 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: -55.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -902.282105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.282105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.282105 (E_RNA) where: Base-Base interactions energy: -516.253 where: short stacking energy: -249.347 Base-Backbone interact. energy: -1.342 local terms energy: -384.686259 where: bonds (distance) C4'-P energy: -78.119 bonds (distance) P-C4' energy: -106.856 flat angles C4'-P-C4' energy: -88.403 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -56.641 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: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -670.063399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.063399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.063399 (E_RNA) where: Base-Base interactions energy: -347.969 where: short stacking energy: -203.185 Base-Backbone interact. energy: -1.202 local terms energy: -320.892419 where: bonds (distance) C4'-P energy: -72.654 bonds (distance) P-C4' energy: -88.808 flat angles C4'-P-C4' energy: -79.494 flat angles P-C4'-P energy: -56.521 tors. eta vs tors. theta energy: -23.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -514.580364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.580364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.580364 (E_RNA) where: Base-Base interactions energy: -252.977 where: short stacking energy: -171.681 Base-Backbone interact. energy: -1.729 local terms energy: -259.874292 where: bonds (distance) C4'-P energy: -69.999 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -65.599 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: 2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -382.613732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.613732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.613732 (E_RNA) where: Base-Base interactions energy: -119.585 where: short stacking energy: -106.086 Base-Backbone interact. energy: 1.431 local terms energy: -264.459606 where: bonds (distance) C4'-P energy: -86.767 bonds (distance) P-C4' energy: -89.376 flat angles C4'-P-C4' energy: -49.666 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: 11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1554.773482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.773482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.773482 (E_RNA) where: Base-Base interactions energy: -1059.013 where: short stacking energy: -454.762 Base-Backbone interact. energy: 0.906 local terms energy: -496.665814 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -92.241 flat angles C4'-P-C4' energy: -102.798 flat angles P-C4'-P energy: -76.492 tors. eta vs tors. theta energy: -130.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1483.213948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.213948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.213948 (E_RNA) where: Base-Base interactions energy: -977.043 where: short stacking energy: -437.935 Base-Backbone interact. energy: -0.980 local terms energy: -505.190515 where: bonds (distance) C4'-P energy: -94.522 bonds (distance) P-C4' energy: -102.542 flat angles C4'-P-C4' energy: -104.169 flat angles P-C4'-P energy: -66.126 tors. eta vs tors. theta energy: -137.832 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: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1367.737208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.737208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.737208 (E_RNA) where: Base-Base interactions energy: -901.287 where: short stacking energy: -421.259 Base-Backbone interact. energy: -0.864 local terms energy: -465.585884 where: bonds (distance) C4'-P energy: -101.226 bonds (distance) P-C4' energy: -93.237 flat angles C4'-P-C4' energy: -102.802 flat angles P-C4'-P energy: -53.651 tors. eta vs tors. theta energy: -114.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1197.739735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.739735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.739735 (E_RNA) where: Base-Base interactions energy: -759.247 where: short stacking energy: -373.593 Base-Backbone interact. energy: -1.935 local terms energy: -436.557551 where: bonds (distance) C4'-P energy: -83.274 bonds (distance) P-C4' energy: -87.676 flat angles C4'-P-C4' energy: -93.871 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -98.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1082.836819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.836819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.836819 (E_RNA) where: Base-Base interactions energy: -689.046 where: short stacking energy: -332.531 Base-Backbone interact. energy: -1.076 local terms energy: -392.715360 where: bonds (distance) C4'-P energy: -82.975 bonds (distance) P-C4' energy: -89.678 flat angles C4'-P-C4' energy: -89.985 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -87.024 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: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -899.890720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.890720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.890720 (E_RNA) where: Base-Base interactions energy: -548.058 where: short stacking energy: -245.443 Base-Backbone interact. energy: -1.994 local terms energy: -349.838123 where: bonds (distance) C4'-P energy: -78.009 bonds (distance) P-C4' energy: -93.441 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -43.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -865.698668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.698668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.698668 (E_RNA) where: Base-Base interactions energy: -520.988 where: short stacking energy: -259.345 Base-Backbone interact. energy: -1.053 local terms energy: -343.657549 where: bonds (distance) C4'-P energy: -75.986 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -43.813 tors. eta vs tors. theta energy: -59.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -609.258376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.258376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.258376 (E_RNA) where: Base-Base interactions energy: -341.172 where: short stacking energy: -176.918 Base-Backbone interact. energy: -2.400 local terms energy: -265.686846 where: bonds (distance) C4'-P energy: -66.136 bonds (distance) P-C4' energy: -76.525 flat angles C4'-P-C4' energy: -67.403 flat angles P-C4'-P energy: -35.776 tors. eta vs tors. theta energy: -19.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -527.724542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.724542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.724542 (E_RNA) where: Base-Base interactions energy: -260.865 where: short stacking energy: -128.868 Base-Backbone interact. energy: 5.875 local terms energy: -272.735147 where: bonds (distance) C4'-P energy: -76.276 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -66.919 flat angles P-C4'-P energy: -47.231 tors. eta vs tors. theta energy: 2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -372.128074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.128074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.128074 (E_RNA) where: Base-Base interactions energy: -161.613 where: short stacking energy: -126.233 Base-Backbone interact. energy: 1.270 local terms energy: -211.784960 where: bonds (distance) C4'-P energy: -80.091 bonds (distance) P-C4' energy: -82.106 flat angles C4'-P-C4' energy: -53.731 flat angles P-C4'-P energy: -29.047 tors. eta vs tors. theta energy: 33.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1547.493616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.493616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.493616 (E_RNA) where: Base-Base interactions energy: -1061.570 where: short stacking energy: -442.278 Base-Backbone interact. energy: -2.668 local terms energy: -483.256003 where: bonds (distance) C4'-P energy: -95.437 bonds (distance) P-C4' energy: -95.436 flat angles C4'-P-C4' energy: -106.931 flat angles P-C4'-P energy: -68.181 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: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1490.852203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.852203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.852203 (E_RNA) where: Base-Base interactions energy: -998.182 where: short stacking energy: -458.334 Base-Backbone interact. energy: -1.877 local terms energy: -490.793142 where: bonds (distance) C4'-P energy: -95.303 bonds (distance) P-C4' energy: -82.424 flat angles C4'-P-C4' energy: -105.417 flat angles P-C4'-P energy: -72.442 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: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1326.723405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.723405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.723405 (E_RNA) where: Base-Base interactions energy: -864.223 where: short stacking energy: -415.591 Base-Backbone interact. energy: -2.727 local terms energy: -459.773413 where: bonds (distance) C4'-P energy: -90.665 bonds (distance) P-C4' energy: -91.404 flat angles C4'-P-C4' energy: -106.072 flat angles P-C4'-P energy: -61.568 tors. eta vs tors. theta energy: -110.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1228.081698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.081698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.081698 (E_RNA) where: Base-Base interactions energy: -796.319 where: short stacking energy: -378.713 Base-Backbone interact. energy: -3.951 local terms energy: -427.811318 where: bonds (distance) C4'-P energy: -89.259 bonds (distance) P-C4' energy: -77.789 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -58.359 tors. eta vs tors. theta energy: -96.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1069.749446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.749446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.749446 (E_RNA) where: Base-Base interactions energy: -687.790 where: short stacking energy: -327.310 Base-Backbone interact. energy: 0.659 local terms energy: -382.618374 where: bonds (distance) C4'-P energy: -92.767 bonds (distance) P-C4' energy: -76.265 flat angles C4'-P-C4' energy: -78.147 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -71.627 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: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -895.127084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.127084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.127084 (E_RNA) where: Base-Base interactions energy: -543.266 where: short stacking energy: -281.984 Base-Backbone interact. energy: 0.764 local terms energy: -352.624694 where: bonds (distance) C4'-P energy: -84.622 bonds (distance) P-C4' energy: -88.185 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -53.015 tors. eta vs tors. theta energy: -47.538 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: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -892.440819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.440819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.440819 (E_RNA) where: Base-Base interactions energy: -540.253 where: short stacking energy: -293.096 Base-Backbone interact. energy: 0.535 local terms energy: -352.722228 where: bonds (distance) C4'-P energy: -58.852 bonds (distance) P-C4' energy: -85.162 flat angles C4'-P-C4' energy: -87.991 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -58.246 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -664.233348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.233348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.233348 (E_RNA) where: Base-Base interactions energy: -372.365 where: short stacking energy: -194.731 Base-Backbone interact. energy: 1.386 local terms energy: -293.254253 where: bonds (distance) C4'-P energy: -73.771 bonds (distance) P-C4' energy: -81.430 flat angles C4'-P-C4' energy: -76.054 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -20.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -540.258908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.258908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.258908 (E_RNA) where: Base-Base interactions energy: -273.382 where: short stacking energy: -152.309 Base-Backbone interact. energy: 0.756 local terms energy: -267.632851 where: bonds (distance) C4'-P energy: -68.703 bonds (distance) P-C4' energy: -73.128 flat angles C4'-P-C4' energy: -81.626 flat angles P-C4'-P energy: -46.279 tors. eta vs tors. theta energy: 2.103 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: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -402.904119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.904119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.904119 (E_RNA) where: Base-Base interactions energy: -149.537 where: short stacking energy: -116.181 Base-Backbone interact. energy: -0.924 local terms energy: -252.442916 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -70.732 flat angles C4'-P-C4' energy: -79.243 flat angles P-C4'-P energy: -28.346 tors. eta vs tors. theta energy: 9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1550.842028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.842028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.842028 (E_RNA) where: Base-Base interactions energy: -1067.851 where: short stacking energy: -445.906 Base-Backbone interact. energy: -4.511 local terms energy: -478.479406 where: bonds (distance) C4'-P energy: -90.915 bonds (distance) P-C4' energy: -93.617 flat angles C4'-P-C4' energy: -108.796 flat angles P-C4'-P energy: -63.046 tors. eta vs tors. theta energy: -122.105 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: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1474.354440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.354440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.354440 (E_RNA) where: Base-Base interactions energy: -984.350 where: short stacking energy: -446.054 Base-Backbone interact. energy: -0.865 local terms energy: -489.139341 where: bonds (distance) C4'-P energy: -82.506 bonds (distance) P-C4' energy: -84.085 flat angles C4'-P-C4' energy: -105.081 flat angles P-C4'-P energy: -72.291 tors. eta vs tors. theta energy: -145.175 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: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1309.713902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.713902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.713902 (E_RNA) where: Base-Base interactions energy: -857.183 where: short stacking energy: -395.491 Base-Backbone interact. energy: -3.866 local terms energy: -448.665690 where: bonds (distance) C4'-P energy: -81.226 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -103.862 flat angles P-C4'-P energy: -68.885 tors. eta vs tors. theta energy: -101.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1219.755718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.755718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.755718 (E_RNA) where: Base-Base interactions energy: -763.052 where: short stacking energy: -378.253 Base-Backbone interact. energy: 0.643 local terms energy: -457.346457 where: bonds (distance) C4'-P energy: -89.872 bonds (distance) P-C4' energy: -99.558 flat angles C4'-P-C4' energy: -96.582 flat angles P-C4'-P energy: -65.801 tors. eta vs tors. theta energy: -105.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1087.378415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.378415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.378415 (E_RNA) where: Base-Base interactions energy: -700.000 where: short stacking energy: -310.112 Base-Backbone interact. energy: -0.495 local terms energy: -386.883773 where: bonds (distance) C4'-P energy: -69.468 bonds (distance) P-C4' energy: -88.338 flat angles C4'-P-C4' energy: -89.829 flat angles P-C4'-P energy: -63.646 tors. eta vs tors. theta energy: -75.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -914.740140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.740140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.740140 (E_RNA) where: Base-Base interactions energy: -510.631 where: short stacking energy: -287.089 Base-Backbone interact. energy: -3.223 local terms energy: -400.885518 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -88.814 flat angles C4'-P-C4' energy: -90.089 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -66.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -889.255000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.255000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.255000 (E_RNA) where: Base-Base interactions energy: -534.783 where: short stacking energy: -264.540 Base-Backbone interact. energy: 0.680 local terms energy: -355.151776 where: bonds (distance) C4'-P energy: -76.221 bonds (distance) P-C4' energy: -91.903 flat angles C4'-P-C4' energy: -76.216 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -51.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -647.354208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.354208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.354208 (E_RNA) where: Base-Base interactions energy: -356.906 where: short stacking energy: -200.296 Base-Backbone interact. energy: -2.004 local terms energy: -288.444234 where: bonds (distance) C4'-P energy: -76.306 bonds (distance) P-C4' energy: -64.540 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -48.797 tors. eta vs tors. theta energy: -22.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -503.287654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.287654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.287654 (E_RNA) where: Base-Base interactions energy: -241.450 where: short stacking energy: -138.659 Base-Backbone interact. energy: -2.770 local terms energy: -259.067741 where: bonds (distance) C4'-P energy: -82.042 bonds (distance) P-C4' energy: -86.941 flat angles C4'-P-C4' energy: -72.695 flat angles P-C4'-P energy: -25.256 tors. eta vs tors. theta energy: 7.866 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: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -392.410138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.410138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.410138 (E_RNA) where: Base-Base interactions energy: -161.259 where: short stacking energy: -116.436 Base-Backbone interact. energy: -3.019 local terms energy: -228.132691 where: bonds (distance) C4'-P energy: -65.781 bonds (distance) P-C4' energy: -98.931 flat angles C4'-P-C4' energy: -64.046 flat angles P-C4'-P energy: -28.114 tors. eta vs tors. theta energy: 28.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1525.143746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.143746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.143746 (E_RNA) where: Base-Base interactions energy: -1050.595 where: short stacking energy: -444.332 Base-Backbone interact. energy: 0.975 local terms energy: -475.523845 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -97.781 flat angles C4'-P-C4' energy: -100.408 flat angles P-C4'-P energy: -57.856 tors. eta vs tors. theta energy: -125.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1461.539983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.539983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.539983 (E_RNA) where: Base-Base interactions energy: -971.218 where: short stacking energy: -436.124 Base-Backbone interact. energy: -1.292 local terms energy: -489.030139 where: bonds (distance) C4'-P energy: -90.457 bonds (distance) P-C4' energy: -92.634 flat angles C4'-P-C4' energy: -96.228 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -136.716 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: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1273.755525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.755525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.755525 (E_RNA) where: Base-Base interactions energy: -829.528 where: short stacking energy: -403.239 Base-Backbone interact. energy: -1.789 local terms energy: -442.438406 where: bonds (distance) C4'-P energy: -94.222 bonds (distance) P-C4' energy: -85.994 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -63.811 tors. eta vs tors. theta energy: -110.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1201.220750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.220750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.220750 (E_RNA) where: Base-Base interactions energy: -750.835 where: short stacking energy: -367.064 Base-Backbone interact. energy: -0.206 local terms energy: -450.179105 where: bonds (distance) C4'-P energy: -95.327 bonds (distance) P-C4' energy: -76.611 flat angles C4'-P-C4' energy: -106.431 flat angles P-C4'-P energy: -73.152 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: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1090.900759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.900759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.900759 (E_RNA) where: Base-Base interactions energy: -690.605 where: short stacking energy: -308.990 Base-Backbone interact. energy: -1.933 local terms energy: -398.363060 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -87.352 flat angles C4'-P-C4' energy: -90.782 flat angles P-C4'-P energy: -58.249 tors. eta vs tors. theta energy: -74.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -876.850674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.850674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.850674 (E_RNA) where: Base-Base interactions energy: -531.633 where: short stacking energy: -286.500 Base-Backbone interact. energy: -3.180 local terms energy: -342.037999 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -89.934 flat angles C4'-P-C4' energy: -88.037 flat angles P-C4'-P energy: -54.900 tors. eta vs tors. theta energy: -46.722 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: 7, replica: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -847.005864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.005864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.005864 (E_RNA) where: Base-Base interactions energy: -510.055 where: short stacking energy: -250.273 Base-Backbone interact. energy: 0.590 local terms energy: -337.540580 where: bonds (distance) C4'-P energy: -80.702 bonds (distance) P-C4' energy: -78.889 flat angles C4'-P-C4' energy: -89.057 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -38.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -629.426484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.426484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.426484 (E_RNA) where: Base-Base interactions energy: -352.693 where: short stacking energy: -183.792 Base-Backbone interact. energy: 1.453 local terms energy: -278.185627 where: bonds (distance) C4'-P energy: -78.851 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -52.771 flat angles P-C4'-P energy: -41.830 tors. eta vs tors. theta energy: -18.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -552.619581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.619581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.619581 (E_RNA) where: Base-Base interactions energy: -291.134 where: short stacking energy: -171.048 Base-Backbone interact. energy: 3.908 local terms energy: -265.393403 where: bonds (distance) C4'-P energy: -61.261 bonds (distance) P-C4' energy: -79.834 flat angles C4'-P-C4' energy: -65.984 flat angles P-C4'-P energy: -55.657 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -376.353099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.353099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.353099 (E_RNA) where: Base-Base interactions energy: -124.028 where: short stacking energy: -98.573 Base-Backbone interact. energy: 3.440 local terms energy: -255.764177 where: bonds (distance) C4'-P energy: -72.796 bonds (distance) P-C4' energy: -77.142 flat angles C4'-P-C4' energy: -80.885 flat angles P-C4'-P energy: -41.050 tors. eta vs tors. theta energy: 16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1515.588599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.588599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.588599 (E_RNA) where: Base-Base interactions energy: -1004.782 where: short stacking energy: -445.293 Base-Backbone interact. energy: -2.867 local terms energy: -507.938762 where: bonds (distance) C4'-P energy: -102.464 bonds (distance) P-C4' energy: -100.633 flat angles C4'-P-C4' energy: -101.259 flat angles P-C4'-P energy: -77.582 tors. eta vs tors. theta energy: -126.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1493.420536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.420536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.420536 (E_RNA) where: Base-Base interactions energy: -1010.189 where: short stacking energy: -460.404 Base-Backbone interact. energy: -1.502 local terms energy: -481.730220 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -65.187 tors. eta vs tors. theta energy: -141.157 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: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1312.040192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.040192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.040192 (E_RNA) where: Base-Base interactions energy: -851.152 where: short stacking energy: -377.302 Base-Backbone interact. energy: 0.006 local terms energy: -460.893808 where: bonds (distance) C4'-P energy: -101.839 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -106.446 flat angles P-C4'-P energy: -59.173 tors. eta vs tors. theta energy: -98.723 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: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1223.504585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.504585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.504585 (E_RNA) where: Base-Base interactions energy: -787.195 where: short stacking energy: -383.950 Base-Backbone interact. energy: -0.444 local terms energy: -435.865929 where: bonds (distance) C4'-P energy: -91.370 bonds (distance) P-C4' energy: -85.470 flat angles C4'-P-C4' energy: -94.660 flat angles P-C4'-P energy: -62.440 tors. eta vs tors. theta energy: -101.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1094.549471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.549471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.549471 (E_RNA) where: Base-Base interactions energy: -686.294 where: short stacking energy: -338.313 Base-Backbone interact. energy: -0.882 local terms energy: -407.373547 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -95.611 flat angles C4'-P-C4' energy: -97.619 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -90.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -926.114959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.114959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.114959 (E_RNA) where: Base-Base interactions energy: -582.990 where: short stacking energy: -271.777 Base-Backbone interact. energy: 2.203 local terms energy: -345.328412 where: bonds (distance) C4'-P energy: -84.594 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -59.774 tors. eta vs tors. theta energy: -47.119 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: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -870.350062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.350062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.350062 (E_RNA) where: Base-Base interactions energy: -530.478 where: short stacking energy: -255.178 Base-Backbone interact. energy: -0.187 local terms energy: -339.684709 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -88.317 flat angles C4'-P-C4' energy: -80.819 flat angles P-C4'-P energy: -32.826 tors. eta vs tors. theta energy: -57.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -649.468646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.468646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.468646 (E_RNA) where: Base-Base interactions energy: -324.553 where: short stacking energy: -164.452 Base-Backbone interact. energy: -1.065 local terms energy: -323.850526 where: bonds (distance) C4'-P energy: -95.238 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -38.919 tors. eta vs tors. theta energy: -20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -554.538577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.538577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.538577 (E_RNA) where: Base-Base interactions energy: -287.572 where: short stacking energy: -150.937 Base-Backbone interact. energy: -1.643 local terms energy: -265.323165 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -88.683 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: 0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -369.546007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.546007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.546007 (E_RNA) where: Base-Base interactions energy: -113.138 where: short stacking energy: -101.188 Base-Backbone interact. energy: -2.199 local terms energy: -254.209019 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -94.543 flat angles C4'-P-C4' energy: -65.559 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: 21.632 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: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1523.684198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.684198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.684198 (E_RNA) where: Base-Base interactions energy: -1022.460 where: short stacking energy: -449.890 Base-Backbone interact. energy: -4.801 local terms energy: -496.423416 where: bonds (distance) C4'-P energy: -98.131 bonds (distance) P-C4' energy: -85.464 flat angles C4'-P-C4' energy: -109.208 flat angles P-C4'-P energy: -68.932 tors. eta vs tors. theta energy: -134.689 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: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1491.707675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.707675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.707675 (E_RNA) where: Base-Base interactions energy: -1014.713 where: short stacking energy: -423.852 Base-Backbone interact. energy: -3.654 local terms energy: -473.340957 where: bonds (distance) C4'-P energy: -99.409 bonds (distance) P-C4' energy: -85.200 flat angles C4'-P-C4' energy: -101.433 flat angles P-C4'-P energy: -60.519 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1321.227176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.227176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.227176 (E_RNA) where: Base-Base interactions energy: -841.919 where: short stacking energy: -395.836 Base-Backbone interact. energy: -1.432 local terms energy: -477.876152 where: bonds (distance) C4'-P energy: -97.540 bonds (distance) P-C4' energy: -96.933 flat angles C4'-P-C4' energy: -99.040 flat angles P-C4'-P energy: -67.327 tors. eta vs tors. theta energy: -117.035 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: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1226.195449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.195449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.195449 (E_RNA) where: Base-Base interactions energy: -781.276 where: short stacking energy: -365.189 Base-Backbone interact. energy: -0.537 local terms energy: -444.382851 where: bonds (distance) C4'-P energy: -99.286 bonds (distance) P-C4' energy: -88.056 flat angles C4'-P-C4' energy: -100.171 flat angles P-C4'-P energy: -63.264 tors. eta vs tors. theta energy: -93.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1081.686592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.686592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.686592 (E_RNA) where: Base-Base interactions energy: -690.625 where: short stacking energy: -327.853 Base-Backbone interact. energy: -0.480 local terms energy: -390.581484 where: bonds (distance) C4'-P energy: -73.030 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -89.655 flat angles P-C4'-P energy: -51.382 tors. eta vs tors. theta energy: -88.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -894.465665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.465665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.465665 (E_RNA) where: Base-Base interactions energy: -556.900 where: short stacking energy: -281.059 Base-Backbone interact. energy: 0.096 local terms energy: -337.661714 where: bonds (distance) C4'-P energy: -75.607 bonds (distance) P-C4' energy: -75.656 flat angles C4'-P-C4' energy: -84.784 flat angles P-C4'-P energy: -51.612 tors. eta vs tors. theta energy: -50.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -840.815780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.815780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.815780 (E_RNA) where: Base-Base interactions energy: -519.754 where: short stacking energy: -255.383 Base-Backbone interact. energy: 0.252 local terms energy: -321.314098 where: bonds (distance) C4'-P energy: -76.482 bonds (distance) P-C4' energy: -86.019 flat angles C4'-P-C4' energy: -66.927 flat angles P-C4'-P energy: -37.821 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: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -687.985523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.985523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.985523 (E_RNA) where: Base-Base interactions energy: -355.593 where: short stacking energy: -213.398 Base-Backbone interact. energy: -1.846 local terms energy: -330.547005 where: bonds (distance) C4'-P energy: -84.365 bonds (distance) P-C4' energy: -77.554 flat angles C4'-P-C4' energy: -75.896 flat angles P-C4'-P energy: -48.793 tors. eta vs tors. theta energy: -43.938 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: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -591.330005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.330005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.330005 (E_RNA) where: Base-Base interactions energy: -309.348 where: short stacking energy: -173.436 Base-Backbone interact. energy: 2.629 local terms energy: -284.610790 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -85.611 flat angles C4'-P-C4' energy: -63.142 flat angles P-C4'-P energy: -27.581 tors. eta vs tors. theta energy: -15.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -377.563360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.563360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.563360 (E_RNA) where: Base-Base interactions energy: -136.312 where: short stacking energy: -108.988 Base-Backbone interact. energy: -2.385 local terms energy: -238.865770 where: bonds (distance) C4'-P energy: -76.748 bonds (distance) P-C4' energy: -87.622 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -26.846 tors. eta vs tors. theta energy: 20.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1545.586236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.586236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.586236 (E_RNA) where: Base-Base interactions energy: -1018.714 where: short stacking energy: -468.311 Base-Backbone interact. energy: -2.538 local terms energy: -524.334573 where: bonds (distance) C4'-P energy: -96.564 bonds (distance) P-C4' energy: -103.745 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -142.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1485.057468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.057468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.057468 (E_RNA) where: Base-Base interactions energy: -1004.753 where: short stacking energy: -409.871 Base-Backbone interact. energy: -5.683 local terms energy: -474.621925 where: bonds (distance) C4'-P energy: -90.274 bonds (distance) P-C4' energy: -104.107 flat angles C4'-P-C4' energy: -102.450 flat angles P-C4'-P energy: -65.748 tors. eta vs tors. theta energy: -112.042 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: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1319.787743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.787743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.787743 (E_RNA) where: Base-Base interactions energy: -861.710 where: short stacking energy: -417.649 Base-Backbone interact. energy: -1.373 local terms energy: -456.704574 where: bonds (distance) C4'-P energy: -85.524 bonds (distance) P-C4' energy: -102.208 flat angles C4'-P-C4' energy: -97.592 flat angles P-C4'-P energy: -58.556 tors. eta vs tors. theta energy: -112.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1256.752969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.752969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.752969 (E_RNA) where: Base-Base interactions energy: -801.474 where: short stacking energy: -403.909 Base-Backbone interact. energy: -1.009 local terms energy: -454.269393 where: bonds (distance) C4'-P energy: -96.980 bonds (distance) P-C4' energy: -78.951 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -113.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1083.268551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.268551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.268551 (E_RNA) where: Base-Base interactions energy: -692.237 where: short stacking energy: -322.699 Base-Backbone interact. energy: 1.957 local terms energy: -392.988790 where: bonds (distance) C4'-P energy: -77.721 bonds (distance) P-C4' energy: -88.242 flat angles C4'-P-C4' energy: -82.373 flat angles P-C4'-P energy: -64.471 tors. eta vs tors. theta energy: -80.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -903.360642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.360642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.360642 (E_RNA) where: Base-Base interactions energy: -534.401 where: short stacking energy: -284.248 Base-Backbone interact. energy: -0.804 local terms energy: -368.155397 where: bonds (distance) C4'-P energy: -86.394 bonds (distance) P-C4' energy: -85.230 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -74.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -784.838124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.838124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.838124 (E_RNA) where: Base-Base interactions energy: -466.976 where: short stacking energy: -219.564 Base-Backbone interact. energy: -2.326 local terms energy: -315.536803 where: bonds (distance) C4'-P energy: -80.679 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -79.785 flat angles P-C4'-P energy: -47.279 tors. eta vs tors. theta energy: -22.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -632.687495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.687495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.687495 (E_RNA) where: Base-Base interactions energy: -326.403 where: short stacking energy: -167.006 Base-Backbone interact. energy: -0.615 local terms energy: -305.669830 where: bonds (distance) C4'-P energy: -83.778 bonds (distance) P-C4' energy: -90.645 flat angles C4'-P-C4' energy: -72.109 flat angles P-C4'-P energy: -45.990 tors. eta vs tors. theta energy: -13.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -590.768468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.768468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.768468 (E_RNA) where: Base-Base interactions energy: -309.688 where: short stacking energy: -166.355 Base-Backbone interact. energy: -1.754 local terms energy: -279.326279 where: bonds (distance) C4'-P energy: -80.708 bonds (distance) P-C4' energy: -88.360 flat angles C4'-P-C4' energy: -71.153 flat angles P-C4'-P energy: -34.399 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -366.956099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.956099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.956099 (E_RNA) where: Base-Base interactions energy: -117.691 where: short stacking energy: -93.940 Base-Backbone interact. energy: -2.022 local terms energy: -247.242487 where: bonds (distance) C4'-P energy: -63.651 bonds (distance) P-C4' energy: -91.647 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -35.787 tors. eta vs tors. theta energy: 11.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1538.311219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.311219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.311219 (E_RNA) where: Base-Base interactions energy: -1046.902 where: short stacking energy: -437.560 Base-Backbone interact. energy: 1.812 local terms energy: -493.221218 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -98.880 flat angles C4'-P-C4' energy: -95.203 flat angles P-C4'-P energy: -77.857 tors. eta vs tors. theta energy: -125.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1497.064433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.064433 (E_RNA) where: Base-Base interactions energy: -1019.685 where: short stacking energy: -460.227 Base-Backbone interact. energy: -0.217 local terms energy: -477.162650 where: bonds (distance) C4'-P energy: -78.642 bonds (distance) P-C4' energy: -93.589 flat angles C4'-P-C4' energy: -103.130 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -137.665 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: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1326.814626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.814626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.814626 (E_RNA) where: Base-Base interactions energy: -868.550 where: short stacking energy: -440.346 Base-Backbone interact. energy: -0.439 local terms energy: -457.825271 where: bonds (distance) C4'-P energy: -84.405 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -98.123 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: -118.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1259.058514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.058514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.058514 (E_RNA) where: Base-Base interactions energy: -846.657 where: short stacking energy: -381.740 Base-Backbone interact. energy: -2.668 local terms energy: -409.733364 where: bonds (distance) C4'-P energy: -65.169 bonds (distance) P-C4' energy: -91.489 flat angles C4'-P-C4' energy: -102.220 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: -94.575 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: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1089.752207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.752207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.752207 (E_RNA) where: Base-Base interactions energy: -683.541 where: short stacking energy: -311.275 Base-Backbone interact. energy: -1.479 local terms energy: -404.731600 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -90.507 flat angles C4'-P-C4' energy: -86.044 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -81.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -880.560918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.560918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.560918 (E_RNA) where: Base-Base interactions energy: -534.277 where: short stacking energy: -278.324 Base-Backbone interact. energy: 0.432 local terms energy: -346.715244 where: bonds (distance) C4'-P energy: -64.634 bonds (distance) P-C4' energy: -85.235 flat angles C4'-P-C4' energy: -79.151 flat angles P-C4'-P energy: -61.453 tors. eta vs tors. theta energy: -56.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -781.217409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.217409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.217409 (E_RNA) where: Base-Base interactions energy: -465.317 where: short stacking energy: -224.375 Base-Backbone interact. energy: -0.705 local terms energy: -315.195676 where: bonds (distance) C4'-P energy: -75.788 bonds (distance) P-C4' energy: -76.282 flat angles C4'-P-C4' energy: -90.213 flat angles P-C4'-P energy: -41.609 tors. eta vs tors. theta energy: -31.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -637.737710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.737710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.737710 (E_RNA) where: Base-Base interactions energy: -330.987 where: short stacking energy: -181.856 Base-Backbone interact. energy: 6.479 local terms energy: -313.229385 where: bonds (distance) C4'-P energy: -74.978 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -45.521 tors. eta vs tors. theta energy: -23.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -523.820425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.820425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.820425 (E_RNA) where: Base-Base interactions energy: -271.609 where: short stacking energy: -145.944 Base-Backbone interact. energy: -1.705 local terms energy: -250.506969 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -91.172 flat angles C4'-P-C4' energy: -66.585 flat angles P-C4'-P energy: -27.052 tors. eta vs tors. theta energy: 6.839 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -373.047063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.047063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.047063 (E_RNA) where: Base-Base interactions energy: -139.540 where: short stacking energy: -118.635 Base-Backbone interact. energy: 1.303 local terms energy: -234.810426 where: bonds (distance) C4'-P energy: -70.890 bonds (distance) P-C4' energy: -84.943 flat angles C4'-P-C4' energy: -76.015 flat angles P-C4'-P energy: -33.820 tors. eta vs tors. theta energy: 30.857 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: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1552.833296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.833296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.833296 (E_RNA) where: Base-Base interactions energy: -1073.422 where: short stacking energy: -445.118 Base-Backbone interact. energy: -2.365 local terms energy: -477.046382 where: bonds (distance) C4'-P energy: -97.334 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -99.145 flat angles P-C4'-P energy: -60.247 tors. eta vs tors. theta energy: -127.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1482.685003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.685003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.685003 (E_RNA) where: Base-Base interactions energy: -1010.832 where: short stacking energy: -455.265 Base-Backbone interact. energy: -2.748 local terms energy: -469.104988 where: bonds (distance) C4'-P energy: -87.060 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -67.985 tors. eta vs tors. theta energy: -143.812 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: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1306.557435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.557435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.557435 (E_RNA) where: Base-Base interactions energy: -842.119 where: short stacking energy: -398.475 Base-Backbone interact. energy: -2.406 local terms energy: -462.032294 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -88.661 flat angles C4'-P-C4' energy: -94.443 flat angles P-C4'-P energy: -72.234 tors. eta vs tors. theta energy: -112.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1240.564883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.564883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.564883 (E_RNA) where: Base-Base interactions energy: -813.307 where: short stacking energy: -374.522 Base-Backbone interact. energy: -0.861 local terms energy: -426.396775 where: bonds (distance) C4'-P energy: -84.208 bonds (distance) P-C4' energy: -84.600 flat angles C4'-P-C4' energy: -97.255 flat angles P-C4'-P energy: -51.560 tors. eta vs tors. theta energy: -108.774 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: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1100.503277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.503277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.503277 (E_RNA) where: Base-Base interactions energy: -704.795 where: short stacking energy: -313.758 Base-Backbone interact. energy: -1.239 local terms energy: -394.469116 where: bonds (distance) C4'-P energy: -81.326 bonds (distance) P-C4' energy: -93.479 flat angles C4'-P-C4' energy: -82.772 flat angles P-C4'-P energy: -51.650 tors. eta vs tors. theta energy: -85.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -932.407614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.407614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.407614 (E_RNA) where: Base-Base interactions energy: -554.096 where: short stacking energy: -271.054 Base-Backbone interact. energy: 0.762 local terms energy: -379.073934 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -88.972 flat angles C4'-P-C4' energy: -87.475 flat angles P-C4'-P energy: -61.236 tors. eta vs tors. theta energy: -65.241 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: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -756.428939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.428939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.428939 (E_RNA) where: Base-Base interactions energy: -441.436 where: short stacking energy: -221.893 Base-Backbone interact. energy: 2.142 local terms energy: -317.135322 where: bonds (distance) C4'-P energy: -70.101 bonds (distance) P-C4' energy: -87.615 flat angles C4'-P-C4' energy: -90.147 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: -20.002 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: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -666.413887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.413887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.413887 (E_RNA) where: Base-Base interactions energy: -361.803 where: short stacking energy: -189.421 Base-Backbone interact. energy: -1.654 local terms energy: -302.957398 where: bonds (distance) C4'-P energy: -82.115 bonds (distance) P-C4' energy: -87.465 flat angles C4'-P-C4' energy: -73.392 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -23.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -585.916867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.916867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.916867 (E_RNA) where: Base-Base interactions energy: -312.075 where: short stacking energy: -183.360 Base-Backbone interact. energy: -2.872 local terms energy: -270.969964 where: bonds (distance) C4'-P energy: -77.324 bonds (distance) P-C4' energy: -68.335 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -33.837 tors. eta vs tors. theta energy: -22.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -373.311972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.311972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.311972 (E_RNA) where: Base-Base interactions energy: -139.778 where: short stacking energy: -113.367 Base-Backbone interact. energy: -0.977 local terms energy: -232.557032 where: bonds (distance) C4'-P energy: -64.531 bonds (distance) P-C4' energy: -75.862 flat angles C4'-P-C4' energy: -54.601 flat angles P-C4'-P energy: -49.735 tors. eta vs tors. theta energy: 12.172 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: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1533.962034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.962034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.962034 (E_RNA) where: Base-Base interactions energy: -1022.449 where: short stacking energy: -469.202 Base-Backbone interact. energy: 0.426 local terms energy: -511.938411 where: bonds (distance) C4'-P energy: -91.586 bonds (distance) P-C4' energy: -96.574 flat angles C4'-P-C4' energy: -105.118 flat angles P-C4'-P energy: -73.967 tors. eta vs tors. theta energy: -144.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1513.345120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.345120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.345120 (E_RNA) where: Base-Base interactions energy: -1026.164 where: short stacking energy: -430.670 Base-Backbone interact. energy: -4.573 local terms energy: -482.607487 where: bonds (distance) C4'-P energy: -95.567 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -103.367 flat angles P-C4'-P energy: -67.327 tors. eta vs tors. theta energy: -126.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1328.623794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.623794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.623794 (E_RNA) where: Base-Base interactions energy: -849.389 where: short stacking energy: -419.999 Base-Backbone interact. energy: -1.774 local terms energy: -477.460373 where: bonds (distance) C4'-P energy: -94.953 bonds (distance) P-C4' energy: -91.271 flat angles C4'-P-C4' energy: -104.337 flat angles P-C4'-P energy: -67.399 tors. eta vs tors. theta energy: -119.501 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: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1233.180511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.180511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.180511 (E_RNA) where: Base-Base interactions energy: -811.004 where: short stacking energy: -381.165 Base-Backbone interact. energy: -3.186 local terms energy: -418.990160 where: bonds (distance) C4'-P energy: -74.271 bonds (distance) P-C4' energy: -79.245 flat angles C4'-P-C4' energy: -97.195 flat angles P-C4'-P energy: -68.853 tors. eta vs tors. theta energy: -99.427 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: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1131.823091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.823091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.823091 (E_RNA) where: Base-Base interactions energy: -723.410 where: short stacking energy: -333.049 Base-Backbone interact. energy: 0.118 local terms energy: -408.530607 where: bonds (distance) C4'-P energy: -98.102 bonds (distance) P-C4' energy: -88.634 flat angles C4'-P-C4' energy: -90.062 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -76.355 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: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -918.766647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.766647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.766647 (E_RNA) where: Base-Base interactions energy: -549.034 where: short stacking energy: -285.761 Base-Backbone interact. energy: -1.689 local terms energy: -368.043740 where: bonds (distance) C4'-P energy: -81.527 bonds (distance) P-C4' energy: -86.812 flat angles C4'-P-C4' energy: -81.413 flat angles P-C4'-P energy: -60.002 tors. eta vs tors. theta energy: -58.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -720.003909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.003909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.003909 (E_RNA) where: Base-Base interactions energy: -424.132 where: short stacking energy: -230.771 Base-Backbone interact. energy: 0.692 local terms energy: -296.563769 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -75.956 flat angles C4'-P-C4' energy: -76.284 flat angles P-C4'-P energy: -43.181 tors. eta vs tors. theta energy: -32.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -721.308989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.308989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.308989 (E_RNA) where: Base-Base interactions energy: -399.202 where: short stacking energy: -179.425 Base-Backbone interact. energy: -1.739 local terms energy: -320.368062 where: bonds (distance) C4'-P energy: -82.376 bonds (distance) P-C4' energy: -77.266 flat angles C4'-P-C4' energy: -90.440 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -21.017 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: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -575.474675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.474675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.474675 (E_RNA) where: Base-Base interactions energy: -297.358 where: short stacking energy: -163.083 Base-Backbone interact. energy: -3.597 local terms energy: -274.518863 where: bonds (distance) C4'-P energy: -66.676 bonds (distance) P-C4' energy: -83.853 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -35.300 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -366.925815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.925815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.925815 (E_RNA) where: Base-Base interactions energy: -139.305 where: short stacking energy: -117.828 Base-Backbone interact. energy: 2.166 local terms energy: -229.787123 where: bonds (distance) C4'-P energy: -62.395 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -22.238 tors. eta vs tors. theta energy: 4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1520.257086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.257086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.257086 (E_RNA) where: Base-Base interactions energy: -1007.407 where: short stacking energy: -472.752 Base-Backbone interact. energy: -2.176 local terms energy: -510.673817 where: bonds (distance) C4'-P energy: -95.200 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -112.915 flat angles P-C4'-P energy: -74.671 tors. eta vs tors. theta energy: -139.563 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: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1554.603770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.603770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.603770 (E_RNA) where: Base-Base interactions energy: -1059.826 where: short stacking energy: -449.010 Base-Backbone interact. energy: 0.346 local terms energy: -495.123939 where: bonds (distance) C4'-P energy: -77.784 bonds (distance) P-C4' energy: -99.125 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -78.290 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: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1307.870000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.870000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.870000 (E_RNA) where: Base-Base interactions energy: -846.414 where: short stacking energy: -409.551 Base-Backbone interact. energy: 1.500 local terms energy: -462.955641 where: bonds (distance) C4'-P energy: -80.561 bonds (distance) P-C4' energy: -86.855 flat angles C4'-P-C4' energy: -107.094 flat angles P-C4'-P energy: -66.213 tors. eta vs tors. theta energy: -122.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1300.796177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.796177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.796177 (E_RNA) where: Base-Base interactions energy: -869.887 where: short stacking energy: -399.360 Base-Backbone interact. energy: -0.678 local terms energy: -430.231383 where: bonds (distance) C4'-P energy: -84.313 bonds (distance) P-C4' energy: -87.462 flat angles C4'-P-C4' energy: -91.541 flat angles P-C4'-P energy: -50.545 tors. eta vs tors. theta energy: -116.370 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: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1095.766449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.766449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.766449 (E_RNA) where: Base-Base interactions energy: -686.913 where: short stacking energy: -317.243 Base-Backbone interact. energy: -4.133 local terms energy: -404.720458 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -82.814 flat angles C4'-P-C4' energy: -92.691 flat angles P-C4'-P energy: -67.114 tors. eta vs tors. theta energy: -76.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -953.234044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.234044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.234044 (E_RNA) where: Base-Base interactions energy: -570.508 where: short stacking energy: -308.122 Base-Backbone interact. energy: -0.216 local terms energy: -382.510912 where: bonds (distance) C4'-P energy: -98.182 bonds (distance) P-C4' energy: -85.658 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -77.695 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: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -734.234375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.234375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.234375 (E_RNA) where: Base-Base interactions energy: -389.235 where: short stacking energy: -215.031 Base-Backbone interact. energy: -0.048 local terms energy: -344.951218 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -90.712 flat angles C4'-P-C4' energy: -84.061 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -46.496 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -611.552760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.552760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.552760 (E_RNA) where: Base-Base interactions energy: -310.973 where: short stacking energy: -178.158 Base-Backbone interact. energy: 2.937 local terms energy: -303.516686 where: bonds (distance) C4'-P energy: -78.197 bonds (distance) P-C4' energy: -87.250 flat angles C4'-P-C4' energy: -79.208 flat angles P-C4'-P energy: -43.945 tors. eta vs tors. theta energy: -14.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -706.632459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.632459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.632459 (E_RNA) where: Base-Base interactions energy: -414.087 where: short stacking energy: -184.790 Base-Backbone interact. energy: 1.176 local terms energy: -293.721297 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -83.356 flat angles C4'-P-C4' energy: -80.369 flat angles P-C4'-P energy: -34.726 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: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -393.002137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.002137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.002137 (E_RNA) where: Base-Base interactions energy: -154.901 where: short stacking energy: -132.401 Base-Backbone interact. energy: 1.381 local terms energy: -239.481778 where: bonds (distance) C4'-P energy: -73.017 bonds (distance) P-C4' energy: -80.314 flat angles C4'-P-C4' energy: -52.897 flat angles P-C4'-P energy: -28.189 tors. eta vs tors. theta energy: -5.064 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: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1563.674476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.674476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.674476 (E_RNA) where: Base-Base interactions energy: -1061.197 where: short stacking energy: -448.021 Base-Backbone interact. energy: -5.127 local terms energy: -497.349888 where: bonds (distance) C4'-P energy: -93.396 bonds (distance) P-C4' energy: -98.000 flat angles C4'-P-C4' energy: -103.856 flat angles P-C4'-P energy: -75.913 tors. eta vs tors. theta energy: -126.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1527.947273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.947273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.947273 (E_RNA) where: Base-Base interactions energy: -991.265 where: short stacking energy: -472.658 Base-Backbone interact. energy: -2.258 local terms energy: -534.424382 where: bonds (distance) C4'-P energy: -88.887 bonds (distance) P-C4' energy: -106.866 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -83.328 tors. eta vs tors. theta energy: -146.844 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: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1301.663095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.663095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.663095 (E_RNA) where: Base-Base interactions energy: -840.870 where: short stacking energy: -407.641 Base-Backbone interact. energy: -2.632 local terms energy: -458.160310 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -83.718 flat angles C4'-P-C4' energy: -104.513 flat angles P-C4'-P energy: -67.220 tors. eta vs tors. theta energy: -108.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1209.000519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.000519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.000519 (E_RNA) where: Base-Base interactions energy: -773.262 where: short stacking energy: -360.508 Base-Backbone interact. energy: 1.731 local terms energy: -437.470059 where: bonds (distance) C4'-P energy: -78.778 bonds (distance) P-C4' energy: -101.721 flat angles C4'-P-C4' energy: -98.707 flat angles P-C4'-P energy: -50.637 tors. eta vs tors. theta energy: -107.628 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: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1114.735109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.735109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.735109 (E_RNA) where: Base-Base interactions energy: -685.060 where: short stacking energy: -310.274 Base-Backbone interact. energy: -1.130 local terms energy: -428.545627 where: bonds (distance) C4'-P energy: -86.358 bonds (distance) P-C4' energy: -87.775 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -72.890 tors. eta vs tors. theta energy: -88.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -967.945011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.945011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.945011 (E_RNA) where: Base-Base interactions energy: -592.639 where: short stacking energy: -271.638 Base-Backbone interact. energy: -2.406 local terms energy: -372.900243 where: bonds (distance) C4'-P energy: -82.225 bonds (distance) P-C4' energy: -90.813 flat angles C4'-P-C4' energy: -87.382 flat angles P-C4'-P energy: -58.159 tors. eta vs tors. theta energy: -54.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -732.461520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.461520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.461520 (E_RNA) where: Base-Base interactions energy: -391.727 where: short stacking energy: -219.346 Base-Backbone interact. energy: 0.065 local terms energy: -340.799320 where: bonds (distance) C4'-P energy: -87.748 bonds (distance) P-C4' energy: -83.445 flat angles C4'-P-C4' energy: -91.706 flat angles P-C4'-P energy: -44.286 tors. eta vs tors. theta energy: -33.615 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: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -604.632383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.632383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.632383 (E_RNA) where: Base-Base interactions energy: -305.613 where: short stacking energy: -169.532 Base-Backbone interact. energy: -2.087 local terms energy: -296.932457 where: bonds (distance) C4'-P energy: -80.330 bonds (distance) P-C4' energy: -85.017 flat angles C4'-P-C4' energy: -77.011 flat angles P-C4'-P energy: -49.661 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -717.681945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.681945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.681945 (E_RNA) where: Base-Base interactions energy: -419.562 where: short stacking energy: -205.211 Base-Backbone interact. energy: -1.064 local terms energy: -297.055810 where: bonds (distance) C4'-P energy: -68.826 bonds (distance) P-C4' energy: -91.634 flat angles C4'-P-C4' energy: -69.836 flat angles P-C4'-P energy: -45.429 tors. eta vs tors. theta energy: -21.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -438.920966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.920966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.920966 (E_RNA) where: Base-Base interactions energy: -169.660 where: short stacking energy: -114.908 Base-Backbone interact. energy: 2.854 local terms energy: -272.115446 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -88.722 flat angles C4'-P-C4' energy: -53.605 flat angles P-C4'-P energy: -41.163 tors. eta vs tors. theta energy: 2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1564.301957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.301957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.301957 (E_RNA) where: Base-Base interactions energy: -1065.213 where: short stacking energy: -461.561 Base-Backbone interact. energy: -3.477 local terms energy: -495.612071 where: bonds (distance) C4'-P energy: -101.451 bonds (distance) P-C4' energy: -84.947 flat angles C4'-P-C4' energy: -103.571 flat angles P-C4'-P energy: -74.350 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: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1476.230746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.230746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.230746 (E_RNA) where: Base-Base interactions energy: -996.200 where: short stacking energy: -461.423 Base-Backbone interact. energy: -0.501 local terms energy: -479.530020 where: bonds (distance) C4'-P energy: -97.942 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -103.238 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -143.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1327.864043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.864043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.864043 (E_RNA) where: Base-Base interactions energy: -866.411 where: short stacking energy: -434.086 Base-Backbone interact. energy: -0.590 local terms energy: -460.863755 where: bonds (distance) C4'-P energy: -88.576 bonds (distance) P-C4' energy: -87.623 flat angles C4'-P-C4' energy: -103.240 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -124.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1209.531683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.531683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.531683 (E_RNA) where: Base-Base interactions energy: -779.601 where: short stacking energy: -373.395 Base-Backbone interact. energy: -1.139 local terms energy: -428.792242 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -89.876 flat angles C4'-P-C4' energy: -95.002 flat angles P-C4'-P energy: -58.489 tors. eta vs tors. theta energy: -105.916 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: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1044.005191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.005191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.005191 (E_RNA) where: Base-Base interactions energy: -664.472 where: short stacking energy: -309.321 Base-Backbone interact. energy: -0.211 local terms energy: -379.322467 where: bonds (distance) C4'-P energy: -82.893 bonds (distance) P-C4' energy: -81.658 flat angles C4'-P-C4' energy: -85.617 flat angles P-C4'-P energy: -58.114 tors. eta vs tors. theta energy: -71.040 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: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -994.245619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.245619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.245619 (E_RNA) where: Base-Base interactions energy: -623.619 where: short stacking energy: -282.234 Base-Backbone interact. energy: 2.931 local terms energy: -373.557564 where: bonds (distance) C4'-P energy: -91.061 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -87.545 flat angles P-C4'-P energy: -59.159 tors. eta vs tors. theta energy: -50.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -717.846655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.846655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.846655 (E_RNA) where: Base-Base interactions energy: -410.582 where: short stacking energy: -224.113 Base-Backbone interact. energy: 0.670 local terms energy: -307.933983 where: bonds (distance) C4'-P energy: -79.095 bonds (distance) P-C4' energy: -93.727 flat angles C4'-P-C4' energy: -79.111 flat angles P-C4'-P energy: -34.917 tors. eta vs tors. theta energy: -21.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -784.980945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.980945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.980945 (E_RNA) where: Base-Base interactions energy: -457.369 where: short stacking energy: -238.325 Base-Backbone interact. energy: 3.059 local terms energy: -330.670777 where: bonds (distance) C4'-P energy: -73.062 bonds (distance) P-C4' energy: -97.160 flat angles C4'-P-C4' energy: -77.323 flat angles P-C4'-P energy: -46.452 tors. eta vs tors. theta energy: -36.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -546.445485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.445485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.445485 (E_RNA) where: Base-Base interactions energy: -262.483 where: short stacking energy: -152.289 Base-Backbone interact. energy: 1.010 local terms energy: -284.972704 where: bonds (distance) C4'-P energy: -68.931 bonds (distance) P-C4' energy: -75.710 flat angles C4'-P-C4' energy: -90.052 flat angles P-C4'-P energy: -50.388 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -442.301017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.301017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.301017 (E_RNA) where: Base-Base interactions energy: -178.812 where: short stacking energy: -115.028 Base-Backbone interact. energy: 6.207 local terms energy: -269.696316 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -83.770 flat angles C4'-P-C4' energy: -80.084 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: 12.875 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: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1560.941970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.941970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.941970 (E_RNA) where: Base-Base interactions energy: -1059.408 where: short stacking energy: -438.565 Base-Backbone interact. energy: -4.056 local terms energy: -497.477456 where: bonds (distance) C4'-P energy: -109.705 bonds (distance) P-C4' energy: -101.728 flat angles C4'-P-C4' energy: -97.361 flat angles P-C4'-P energy: -68.804 tors. eta vs tors. theta energy: -119.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1453.511625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.511625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.511625 (E_RNA) where: Base-Base interactions energy: -942.407 where: short stacking energy: -447.016 Base-Backbone interact. energy: 0.910 local terms energy: -512.014833 where: bonds (distance) C4'-P energy: -99.495 bonds (distance) P-C4' energy: -106.293 flat angles C4'-P-C4' energy: -104.692 flat angles P-C4'-P energy: -65.418 tors. eta vs tors. theta energy: -136.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1294.365204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.365204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.365204 (E_RNA) where: Base-Base interactions energy: -843.617 where: short stacking energy: -410.120 Base-Backbone interact. energy: -0.848 local terms energy: -449.900697 where: bonds (distance) C4'-P energy: -93.866 bonds (distance) P-C4' energy: -95.064 flat angles C4'-P-C4' energy: -102.085 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -104.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1259.497887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.497887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.497887 (E_RNA) where: Base-Base interactions energy: -817.300 where: short stacking energy: -382.285 Base-Backbone interact. energy: 0.307 local terms energy: -442.504353 where: bonds (distance) C4'-P energy: -85.112 bonds (distance) P-C4' energy: -91.682 flat angles C4'-P-C4' energy: -97.254 flat angles P-C4'-P energy: -67.619 tors. eta vs tors. theta energy: -100.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1078.380726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.380726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.380726 (E_RNA) where: Base-Base interactions energy: -685.354 where: short stacking energy: -315.720 Base-Backbone interact. energy: 1.831 local terms energy: -394.857668 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -89.231 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -54.084 tors. eta vs tors. theta energy: -81.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -947.745660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.745660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.745660 (E_RNA) where: Base-Base interactions energy: -566.363 where: short stacking energy: -290.361 Base-Backbone interact. energy: -0.380 local terms energy: -381.003316 where: bonds (distance) C4'-P energy: -80.747 bonds (distance) P-C4' energy: -87.086 flat angles C4'-P-C4' energy: -87.919 flat angles P-C4'-P energy: -56.913 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: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -793.819556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.819556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.819556 (E_RNA) where: Base-Base interactions energy: -451.396 where: short stacking energy: -222.381 Base-Backbone interact. energy: -2.956 local terms energy: -339.467165 where: bonds (distance) C4'-P energy: -82.867 bonds (distance) P-C4' energy: -97.797 flat angles C4'-P-C4' energy: -72.576 flat angles P-C4'-P energy: -55.862 tors. eta vs tors. theta energy: -30.365 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: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -700.102761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.102761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.102761 (E_RNA) where: Base-Base interactions energy: -384.304 where: short stacking energy: -198.825 Base-Backbone interact. energy: -1.351 local terms energy: -314.448016 where: bonds (distance) C4'-P energy: -91.116 bonds (distance) P-C4' energy: -98.087 flat angles C4'-P-C4' energy: -61.847 flat angles P-C4'-P energy: -30.944 tors. eta vs tors. theta energy: -32.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -563.190523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.190523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.190523 (E_RNA) where: Base-Base interactions energy: -275.137 where: short stacking energy: -163.682 Base-Backbone interact. energy: -1.744 local terms energy: -286.310033 where: bonds (distance) C4'-P energy: -71.904 bonds (distance) P-C4' energy: -90.647 flat angles C4'-P-C4' energy: -66.061 flat angles P-C4'-P energy: -36.062 tors. eta vs tors. theta energy: -21.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -424.550371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.550371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.550371 (E_RNA) where: Base-Base interactions energy: -175.544 where: short stacking energy: -97.011 Base-Backbone interact. energy: 2.224 local terms energy: -251.230478 where: bonds (distance) C4'-P energy: -76.869 bonds (distance) P-C4' energy: -61.062 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -40.072 tors. eta vs tors. theta energy: 12.434 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: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1576.475741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.475741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.475741 (E_RNA) where: Base-Base interactions energy: -1098.673 where: short stacking energy: -468.423 Base-Backbone interact. energy: -2.863 local terms energy: -474.939243 where: bonds (distance) C4'-P energy: -88.206 bonds (distance) P-C4' energy: -86.847 flat angles C4'-P-C4' energy: -104.141 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -124.851 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: 319 Temperature: 0.950000 Total energy: -1454.143134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.143134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.143134 (E_RNA) where: Base-Base interactions energy: -972.192 where: short stacking energy: -427.912 Base-Backbone interact. energy: -0.488 local terms energy: -481.462210 where: bonds (distance) C4'-P energy: -90.738 bonds (distance) P-C4' energy: -87.928 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -75.193 tors. eta vs tors. theta energy: -132.400 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: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1303.788545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.788545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.788545 (E_RNA) where: Base-Base interactions energy: -837.220 where: short stacking energy: -415.835 Base-Backbone interact. energy: 0.186 local terms energy: -466.753910 where: bonds (distance) C4'-P energy: -78.640 bonds (distance) P-C4' energy: -89.959 flat angles C4'-P-C4' energy: -115.848 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -118.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1292.002805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.002805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.002805 (E_RNA) where: Base-Base interactions energy: -843.634 where: short stacking energy: -408.226 Base-Backbone interact. energy: -2.085 local terms energy: -446.283179 where: bonds (distance) C4'-P energy: -87.289 bonds (distance) P-C4' energy: -93.744 flat angles C4'-P-C4' energy: -94.047 flat angles P-C4'-P energy: -59.442 tors. eta vs tors. theta energy: -111.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1121.874626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.874626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.874626 (E_RNA) where: Base-Base interactions energy: -693.732 where: short stacking energy: -322.921 Base-Backbone interact. energy: -3.858 local terms energy: -424.284661 where: bonds (distance) C4'-P energy: -85.822 bonds (distance) P-C4' energy: -101.629 flat angles C4'-P-C4' energy: -87.023 flat angles P-C4'-P energy: -59.197 tors. eta vs tors. theta energy: -90.613 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: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -924.218704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.218704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.218704 (E_RNA) where: Base-Base interactions energy: -568.461 where: short stacking energy: -270.178 Base-Backbone interact. energy: -2.098 local terms energy: -353.660015 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -85.112 flat angles C4'-P-C4' energy: -73.873 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: -52.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -856.812528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.812528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.812528 (E_RNA) where: Base-Base interactions energy: -535.672 where: short stacking energy: -266.295 Base-Backbone interact. energy: 0.879 local terms energy: -322.020026 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -86.581 flat angles C4'-P-C4' energy: -72.639 flat angles P-C4'-P energy: -44.795 tors. eta vs tors. theta energy: -42.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -724.678260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.678260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.678260 (E_RNA) where: Base-Base interactions energy: -391.576 where: short stacking energy: -194.138 Base-Backbone interact. energy: -0.580 local terms energy: -332.521959 where: bonds (distance) C4'-P energy: -88.032 bonds (distance) P-C4' energy: -86.008 flat angles C4'-P-C4' energy: -79.470 flat angles P-C4'-P energy: -42.473 tors. eta vs tors. theta energy: -36.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -525.000212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.000212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.000212 (E_RNA) where: Base-Base interactions energy: -251.409 where: short stacking energy: -147.811 Base-Backbone interact. energy: -1.414 local terms energy: -272.176538 where: bonds (distance) C4'-P energy: -72.624 bonds (distance) P-C4' energy: -84.867 flat angles C4'-P-C4' energy: -71.017 flat angles P-C4'-P energy: -52.957 tors. eta vs tors. theta energy: 9.289 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: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -441.769883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.769883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.769883 (E_RNA) where: Base-Base interactions energy: -179.238 where: short stacking energy: -126.679 Base-Backbone interact. energy: 0.115 local terms energy: -262.646731 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -80.027 flat angles C4'-P-C4' energy: -62.549 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: 9.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1557.430252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.430252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.430252 (E_RNA) where: Base-Base interactions energy: -1052.752 where: short stacking energy: -443.276 Base-Backbone interact. energy: -3.443 local terms energy: -501.235363 where: bonds (distance) C4'-P energy: -102.609 bonds (distance) P-C4' energy: -100.108 flat angles C4'-P-C4' energy: -95.703 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: -124.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1474.641563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.641563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.641563 (E_RNA) where: Base-Base interactions energy: -996.337 where: short stacking energy: -455.245 Base-Backbone interact. energy: 0.375 local terms energy: -478.679088 where: bonds (distance) C4'-P energy: -74.988 bonds (distance) P-C4' energy: -90.685 flat angles C4'-P-C4' energy: -100.657 flat angles P-C4'-P energy: -75.551 tors. eta vs tors. theta energy: -136.798 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: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1297.924658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.924658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.924658 (E_RNA) where: Base-Base interactions energy: -834.191 where: short stacking energy: -393.904 Base-Backbone interact. energy: 0.987 local terms energy: -464.721260 where: bonds (distance) C4'-P energy: -91.054 bonds (distance) P-C4' energy: -87.831 flat angles C4'-P-C4' energy: -101.565 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -114.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1262.174988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.174988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.174988 (E_RNA) where: Base-Base interactions energy: -836.351 where: short stacking energy: -395.208 Base-Backbone interact. energy: -1.216 local terms energy: -424.608419 where: bonds (distance) C4'-P energy: -90.726 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -100.988 flat angles P-C4'-P energy: -42.314 tors. eta vs tors. theta energy: -106.603 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: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1097.340890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.340890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.340890 (E_RNA) where: Base-Base interactions energy: -675.524 where: short stacking energy: -322.234 Base-Backbone interact. energy: 5.286 local terms energy: -427.103599 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -103.675 flat angles C4'-P-C4' energy: -99.498 flat angles P-C4'-P energy: -55.636 tors. eta vs tors. theta energy: -87.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -974.417091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.417091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.417091 (E_RNA) where: Base-Base interactions energy: -606.776 where: short stacking energy: -269.901 Base-Backbone interact. energy: -0.257 local terms energy: -367.384828 where: bonds (distance) C4'-P energy: -90.270 bonds (distance) P-C4' energy: -81.882 flat angles C4'-P-C4' energy: -89.724 flat angles P-C4'-P energy: -53.679 tors. eta vs tors. theta energy: -51.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -869.105361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.105361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.105361 (E_RNA) where: Base-Base interactions energy: -510.347 where: short stacking energy: -260.468 Base-Backbone interact. energy: -2.034 local terms energy: -356.724179 where: bonds (distance) C4'-P energy: -77.342 bonds (distance) P-C4' energy: -94.815 flat angles C4'-P-C4' energy: -71.853 flat angles P-C4'-P energy: -57.734 tors. eta vs tors. theta energy: -54.981 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: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -703.856871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.856871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.856871 (E_RNA) where: Base-Base interactions energy: -378.317 where: short stacking energy: -217.626 Base-Backbone interact. energy: 0.208 local terms energy: -325.747944 where: bonds (distance) C4'-P energy: -76.186 bonds (distance) P-C4' energy: -99.304 flat angles C4'-P-C4' energy: -60.783 flat angles P-C4'-P energy: -58.601 tors. eta vs tors. theta energy: -30.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -523.499664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.499664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.499664 (E_RNA) where: Base-Base interactions energy: -238.300 where: short stacking energy: -143.824 Base-Backbone interact. energy: -0.520 local terms energy: -284.679978 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -81.612 flat angles P-C4'-P energy: -48.812 tors. eta vs tors. theta energy: 6.429 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: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -394.965890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.965890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.965890 (E_RNA) where: Base-Base interactions energy: -178.599 where: short stacking energy: -125.762 Base-Backbone interact. energy: 2.765 local terms energy: -219.131009 where: bonds (distance) C4'-P energy: -75.341 bonds (distance) P-C4' energy: -74.605 flat angles C4'-P-C4' energy: -52.679 flat angles P-C4'-P energy: -30.036 tors. eta vs tors. theta energy: 13.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1562.342867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.342867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.342867 (E_RNA) where: Base-Base interactions energy: -1101.032 where: short stacking energy: -464.390 Base-Backbone interact. energy: -2.711 local terms energy: -458.599767 where: bonds (distance) C4'-P energy: -89.167 bonds (distance) P-C4' energy: -85.920 flat angles C4'-P-C4' energy: -103.493 flat angles P-C4'-P energy: -60.912 tors. eta vs tors. theta energy: -119.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1449.375142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.375142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.375142 (E_RNA) where: Base-Base interactions energy: -952.043 where: short stacking energy: -429.962 Base-Backbone interact. energy: -4.136 local terms energy: -493.195665 where: bonds (distance) C4'-P energy: -95.879 bonds (distance) P-C4' energy: -107.565 flat angles C4'-P-C4' energy: -92.790 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -133.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1299.166256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.166256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.166256 (E_RNA) where: Base-Base interactions energy: -816.745 where: short stacking energy: -414.468 Base-Backbone interact. energy: 0.098 local terms energy: -482.520017 where: bonds (distance) C4'-P energy: -100.640 bonds (distance) P-C4' energy: -101.610 flat angles C4'-P-C4' energy: -107.024 flat angles P-C4'-P energy: -68.164 tors. eta vs tors. theta energy: -105.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1260.032335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.032335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.032335 (E_RNA) where: Base-Base interactions energy: -817.561 where: short stacking energy: -385.027 Base-Backbone interact. energy: -2.391 local terms energy: -440.080390 where: bonds (distance) C4'-P energy: -78.497 bonds (distance) P-C4' energy: -91.237 flat angles C4'-P-C4' energy: -102.967 flat angles P-C4'-P energy: -59.136 tors. eta vs tors. theta energy: -108.243 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: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1093.499241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.499241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.499241 (E_RNA) where: Base-Base interactions energy: -700.583 where: short stacking energy: -303.468 Base-Backbone interact. energy: 0.804 local terms energy: -393.720314 where: bonds (distance) C4'-P energy: -95.136 bonds (distance) P-C4' energy: -93.069 flat angles C4'-P-C4' energy: -93.265 flat angles P-C4'-P energy: -35.683 tors. eta vs tors. theta energy: -76.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1041.912048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.912048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.912048 (E_RNA) where: Base-Base interactions energy: -642.757 where: short stacking energy: -280.940 Base-Backbone interact. energy: -0.058 local terms energy: -399.096602 where: bonds (distance) C4'-P energy: -79.666 bonds (distance) P-C4' energy: -102.093 flat angles C4'-P-C4' energy: -81.263 flat angles P-C4'-P energy: -74.795 tors. eta vs tors. theta energy: -61.279 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: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -844.954093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.954093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.954093 (E_RNA) where: Base-Base interactions energy: -505.156 where: short stacking energy: -232.130 Base-Backbone interact. energy: 0.649 local terms energy: -340.446729 where: bonds (distance) C4'-P energy: -83.044 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -84.353 flat angles P-C4'-P energy: -52.129 tors. eta vs tors. theta energy: -35.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -674.912194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.912194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.912194 (E_RNA) where: Base-Base interactions energy: -373.425 where: short stacking energy: -198.313 Base-Backbone interact. energy: 3.558 local terms energy: -305.044899 where: bonds (distance) C4'-P energy: -84.540 bonds (distance) P-C4' energy: -57.978 flat angles C4'-P-C4' energy: -89.642 flat angles P-C4'-P energy: -53.344 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -519.256955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.256955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.256955 (E_RNA) where: Base-Base interactions energy: -251.828 where: short stacking energy: -149.407 Base-Backbone interact. energy: 3.785 local terms energy: -271.214022 where: bonds (distance) C4'-P energy: -79.822 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -65.117 flat angles P-C4'-P energy: -36.605 tors. eta vs tors. theta energy: -4.043 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: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -385.119344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.119344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.119344 (E_RNA) where: Base-Base interactions energy: -135.774 where: short stacking energy: -102.468 Base-Backbone interact. energy: -0.489 local terms energy: -248.857220 where: bonds (distance) C4'-P energy: -78.173 bonds (distance) P-C4' energy: -91.560 flat angles C4'-P-C4' energy: -53.430 flat angles P-C4'-P energy: -39.314 tors. eta vs tors. theta energy: 13.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1560.836314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.836314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.836314 (E_RNA) where: Base-Base interactions energy: -1058.110 where: short stacking energy: -437.795 Base-Backbone interact. energy: -3.069 local terms energy: -499.656768 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -92.673 flat angles C4'-P-C4' energy: -108.339 flat angles P-C4'-P energy: -73.385 tors. eta vs tors. theta energy: -125.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1442.588499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.588499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.588499 (E_RNA) where: Base-Base interactions energy: -935.750 where: short stacking energy: -442.031 Base-Backbone interact. energy: -2.015 local terms energy: -504.823582 where: bonds (distance) C4'-P energy: -90.227 bonds (distance) P-C4' energy: -91.064 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -68.566 tors. eta vs tors. theta energy: -147.126 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: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1303.569431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.569431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.569431 (E_RNA) where: Base-Base interactions energy: -813.735 where: short stacking energy: -411.370 Base-Backbone interact. energy: 1.148 local terms energy: -490.982601 where: bonds (distance) C4'-P energy: -91.931 bonds (distance) P-C4' energy: -90.574 flat angles C4'-P-C4' energy: -111.904 flat angles P-C4'-P energy: -80.531 tors. eta vs tors. theta energy: -116.042 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: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1268.637897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.637897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.637897 (E_RNA) where: Base-Base interactions energy: -826.455 where: short stacking energy: -393.535 Base-Backbone interact. energy: -1.461 local terms energy: -440.722319 where: bonds (distance) C4'-P energy: -91.442 bonds (distance) P-C4' energy: -91.789 flat angles C4'-P-C4' energy: -95.800 flat angles P-C4'-P energy: -55.521 tors. eta vs tors. theta energy: -106.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1114.329293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.329293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.329293 (E_RNA) where: Base-Base interactions energy: -717.887 where: short stacking energy: -330.763 Base-Backbone interact. energy: -0.730 local terms energy: -395.712286 where: bonds (distance) C4'-P energy: -77.533 bonds (distance) P-C4' energy: -93.016 flat angles C4'-P-C4' energy: -95.313 flat angles P-C4'-P energy: -50.638 tors. eta vs tors. theta energy: -79.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1015.030135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.030135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.030135 (E_RNA) where: Base-Base interactions energy: -640.786 where: short stacking energy: -284.254 Base-Backbone interact. energy: -1.310 local terms energy: -372.934291 where: bonds (distance) C4'-P energy: -79.792 bonds (distance) P-C4' energy: -80.423 flat angles C4'-P-C4' energy: -92.019 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -65.046 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: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -843.695848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.695848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.695848 (E_RNA) where: Base-Base interactions energy: -489.992 where: short stacking energy: -226.795 Base-Backbone interact. energy: -3.558 local terms energy: -350.145977 where: bonds (distance) C4'-P energy: -75.911 bonds (distance) P-C4' energy: -87.556 flat angles C4'-P-C4' energy: -92.221 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -43.782 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: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -682.218129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.218129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.218129 (E_RNA) where: Base-Base interactions energy: -381.852 where: short stacking energy: -215.617 Base-Backbone interact. energy: -1.516 local terms energy: -298.850178 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -66.177 flat angles C4'-P-C4' energy: -80.778 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: -41.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -545.367911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.367911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.367911 (E_RNA) where: Base-Base interactions energy: -264.895 where: short stacking energy: -153.086 Base-Backbone interact. energy: -0.068 local terms energy: -280.405683 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -85.972 flat angles C4'-P-C4' energy: -65.347 flat angles P-C4'-P energy: -56.912 tors. eta vs tors. theta energy: 4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -384.290350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.290350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.290350 (E_RNA) where: Base-Base interactions energy: -164.608 where: short stacking energy: -133.694 Base-Backbone interact. energy: 3.820 local terms energy: -223.502481 where: bonds (distance) C4'-P energy: -57.927 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -66.232 flat angles P-C4'-P energy: -29.736 tors. eta vs tors. theta energy: -2.322 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: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1568.354333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.354333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.354333 (E_RNA) where: Base-Base interactions energy: -1072.808 where: short stacking energy: -439.206 Base-Backbone interact. energy: 0.219 local terms energy: -495.764476 where: bonds (distance) C4'-P energy: -96.384 bonds (distance) P-C4' energy: -96.524 flat angles C4'-P-C4' energy: -108.654 flat angles P-C4'-P energy: -69.155 tors. eta vs tors. theta energy: -125.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1462.323714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.323714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.323714 (E_RNA) where: Base-Base interactions energy: -969.000 where: short stacking energy: -470.689 Base-Backbone interact. energy: -1.640 local terms energy: -491.683512 where: bonds (distance) C4'-P energy: -85.134 bonds (distance) P-C4' energy: -95.302 flat angles C4'-P-C4' energy: -102.312 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -142.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1283.518337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.518337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.518337 (E_RNA) where: Base-Base interactions energy: -821.216 where: short stacking energy: -398.798 Base-Backbone interact. energy: -3.182 local terms energy: -459.120902 where: bonds (distance) C4'-P energy: -88.488 bonds (distance) P-C4' energy: -87.618 flat angles C4'-P-C4' energy: -101.944 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: -112.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1267.140548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.140548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.140548 (E_RNA) where: Base-Base interactions energy: -789.687 where: short stacking energy: -379.071 Base-Backbone interact. energy: -1.502 local terms energy: -475.951200 where: bonds (distance) C4'-P energy: -98.767 bonds (distance) P-C4' energy: -98.298 flat angles C4'-P-C4' energy: -100.970 flat angles P-C4'-P energy: -71.137 tors. eta vs tors. theta energy: -106.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1108.825278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.825278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.825278 (E_RNA) where: Base-Base interactions energy: -739.038 where: short stacking energy: -341.844 Base-Backbone interact. energy: 5.537 local terms energy: -375.324252 where: bonds (distance) C4'-P energy: -74.287 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -90.408 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -85.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -989.842517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.842517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.842517 (E_RNA) where: Base-Base interactions energy: -624.040 where: short stacking energy: -280.174 Base-Backbone interact. energy: 1.800 local terms energy: -367.602374 where: bonds (distance) C4'-P energy: -87.738 bonds (distance) P-C4' energy: -73.846 flat angles C4'-P-C4' energy: -91.749 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -50.845 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: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -821.132334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.132334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.132334 (E_RNA) where: Base-Base interactions energy: -487.018 where: short stacking energy: -260.409 Base-Backbone interact. energy: -2.126 local terms energy: -331.989240 where: bonds (distance) C4'-P energy: -79.598 bonds (distance) P-C4' energy: -89.267 flat angles C4'-P-C4' energy: -73.600 flat angles P-C4'-P energy: -51.891 tors. eta vs tors. theta energy: -37.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -701.915316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.915316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.915316 (E_RNA) where: Base-Base interactions energy: -367.622 where: short stacking energy: -203.029 Base-Backbone interact. energy: -1.789 local terms energy: -332.504039 where: bonds (distance) C4'-P energy: -87.174 bonds (distance) P-C4' energy: -89.822 flat angles C4'-P-C4' energy: -87.628 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -23.524 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: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -540.337681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.337681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.337681 (E_RNA) where: Base-Base interactions energy: -277.358 where: short stacking energy: -144.697 Base-Backbone interact. energy: 1.058 local terms energy: -264.037862 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -59.862 flat angles P-C4'-P energy: -42.474 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -408.879166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.879166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.879166 (E_RNA) where: Base-Base interactions energy: -140.974 where: short stacking energy: -125.136 Base-Backbone interact. energy: 1.331 local terms energy: -269.236250 where: bonds (distance) C4'-P energy: -77.228 bonds (distance) P-C4' energy: -83.265 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -38.922 tors. eta vs tors. theta energy: 5.045 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: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1569.731449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.731449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.731449 (E_RNA) where: Base-Base interactions energy: -1076.468 where: short stacking energy: -458.203 Base-Backbone interact. energy: -3.677 local terms energy: -489.586639 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -94.539 flat angles C4'-P-C4' energy: -102.111 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -130.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1415.622527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.622527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.622527 (E_RNA) where: Base-Base interactions energy: -955.663 where: short stacking energy: -452.865 Base-Backbone interact. energy: 7.675 local terms energy: -467.633958 where: bonds (distance) C4'-P energy: -67.471 bonds (distance) P-C4' energy: -102.137 flat angles C4'-P-C4' energy: -109.850 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -128.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1338.027360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.027360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.027360 (E_RNA) where: Base-Base interactions energy: -832.296 where: short stacking energy: -421.793 Base-Backbone interact. energy: -1.246 local terms energy: -504.485090 where: bonds (distance) C4'-P energy: -96.127 bonds (distance) P-C4' energy: -113.328 flat angles C4'-P-C4' energy: -113.436 flat angles P-C4'-P energy: -54.736 tors. eta vs tors. theta energy: -126.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1230.925736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.925736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.925736 (E_RNA) where: Base-Base interactions energy: -780.611 where: short stacking energy: -390.573 Base-Backbone interact. energy: -2.451 local terms energy: -447.863894 where: bonds (distance) C4'-P energy: -78.362 bonds (distance) P-C4' energy: -91.730 flat angles C4'-P-C4' energy: -104.387 flat angles P-C4'-P energy: -68.339 tors. eta vs tors. theta energy: -105.045 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: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1129.061796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.061796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.061796 (E_RNA) where: Base-Base interactions energy: -725.463 where: short stacking energy: -346.826 Base-Backbone interact. energy: 0.538 local terms energy: -404.136765 where: bonds (distance) C4'-P energy: -86.172 bonds (distance) P-C4' energy: -81.671 flat angles C4'-P-C4' energy: -93.895 flat angles P-C4'-P energy: -61.729 tors. eta vs tors. theta energy: -80.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1002.721243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.721243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.721243 (E_RNA) where: Base-Base interactions energy: -623.966 where: short stacking energy: -281.494 Base-Backbone interact. energy: -2.494 local terms energy: -376.261703 where: bonds (distance) C4'-P energy: -83.260 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -69.057 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -73.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -822.665123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.665123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.665123 (E_RNA) where: Base-Base interactions energy: -502.659 where: short stacking energy: -257.989 Base-Backbone interact. energy: -0.388 local terms energy: -319.618464 where: bonds (distance) C4'-P energy: -75.437 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: -40.289 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: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -666.459404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.459404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.459404 (E_RNA) where: Base-Base interactions energy: -362.845 where: short stacking energy: -172.142 Base-Backbone interact. energy: 0.223 local terms energy: -303.837495 where: bonds (distance) C4'-P energy: -82.122 bonds (distance) P-C4' energy: -86.236 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -56.631 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -523.337256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.337256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.337256 (E_RNA) where: Base-Base interactions energy: -244.348 where: short stacking energy: -142.960 Base-Backbone interact. energy: -0.691 local terms energy: -278.298966 where: bonds (distance) C4'-P energy: -60.506 bonds (distance) P-C4' energy: -82.333 flat angles C4'-P-C4' energy: -84.676 flat angles P-C4'-P energy: -49.751 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -371.504180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.504180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.504180 (E_RNA) where: Base-Base interactions energy: -114.815 where: short stacking energy: -101.221 Base-Backbone interact. energy: -3.294 local terms energy: -253.395617 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -87.368 flat angles C4'-P-C4' energy: -57.963 flat angles P-C4'-P energy: -47.220 tors. eta vs tors. theta energy: 28.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1567.386369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.386369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.386369 (E_RNA) where: Base-Base interactions energy: -1051.258 where: short stacking energy: -438.725 Base-Backbone interact. energy: -7.024 local terms energy: -509.104022 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -98.775 flat angles C4'-P-C4' energy: -106.672 flat angles P-C4'-P energy: -73.501 tors. eta vs tors. theta energy: -129.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1474.913063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.913063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.913063 (E_RNA) where: Base-Base interactions energy: -982.978 where: short stacking energy: -434.384 Base-Backbone interact. energy: 0.681 local terms energy: -492.616287 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -86.873 flat angles C4'-P-C4' energy: -99.555 flat angles P-C4'-P energy: -70.087 tors. eta vs tors. theta energy: -141.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1329.627409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.627409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.627409 (E_RNA) where: Base-Base interactions energy: -846.285 where: short stacking energy: -406.678 Base-Backbone interact. energy: -2.143 local terms energy: -481.199239 where: bonds (distance) C4'-P energy: -88.464 bonds (distance) P-C4' energy: -101.853 flat angles C4'-P-C4' energy: -99.423 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -112.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1247.748718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.748718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.748718 (E_RNA) where: Base-Base interactions energy: -799.897 where: short stacking energy: -408.986 Base-Backbone interact. energy: -1.723 local terms energy: -446.128872 where: bonds (distance) C4'-P energy: -82.763 bonds (distance) P-C4' energy: -89.010 flat angles C4'-P-C4' energy: -101.489 flat angles P-C4'-P energy: -69.909 tors. eta vs tors. theta energy: -102.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1174.423268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.423268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.423268 (E_RNA) where: Base-Base interactions energy: -760.532 where: short stacking energy: -352.601 Base-Backbone interact. energy: 3.176 local terms energy: -417.067527 where: bonds (distance) C4'-P energy: -88.064 bonds (distance) P-C4' energy: -82.082 flat angles C4'-P-C4' energy: -98.279 flat angles P-C4'-P energy: -49.009 tors. eta vs tors. theta energy: -99.633 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: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -984.363228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.363228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.363228 (E_RNA) where: Base-Base interactions energy: -598.718 where: short stacking energy: -286.143 Base-Backbone interact. energy: -1.343 local terms energy: -384.301904 where: bonds (distance) C4'-P energy: -80.756 bonds (distance) P-C4' energy: -91.020 flat angles C4'-P-C4' energy: -83.642 flat angles P-C4'-P energy: -60.961 tors. eta vs tors. theta energy: -67.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -846.136074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.136074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.136074 (E_RNA) where: Base-Base interactions energy: -522.847 where: short stacking energy: -270.140 Base-Backbone interact. energy: -1.948 local terms energy: -321.341330 where: bonds (distance) C4'-P energy: -70.003 bonds (distance) P-C4' energy: -82.112 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -48.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -651.488313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.488313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.488313 (E_RNA) where: Base-Base interactions energy: -348.894 where: short stacking energy: -192.387 Base-Backbone interact. energy: 0.171 local terms energy: -302.765591 where: bonds (distance) C4'-P energy: -72.396 bonds (distance) P-C4' energy: -100.278 flat angles C4'-P-C4' energy: -73.498 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -18.411 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: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -547.106169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.106169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.106169 (E_RNA) where: Base-Base interactions energy: -250.330 where: short stacking energy: -161.555 Base-Backbone interact. energy: -0.017 local terms energy: -296.758317 where: bonds (distance) C4'-P energy: -79.717 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -79.092 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -394.778610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.778610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.778610 (E_RNA) where: Base-Base interactions energy: -132.137 where: short stacking energy: -115.240 Base-Backbone interact. energy: 3.005 local terms energy: -265.646642 where: bonds (distance) C4'-P energy: -96.059 bonds (distance) P-C4' energy: -73.316 flat angles C4'-P-C4' energy: -61.815 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: 4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1574.301833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.301833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.301833 (E_RNA) where: Base-Base interactions energy: -1066.890 where: short stacking energy: -449.512 Base-Backbone interact. energy: -4.704 local terms energy: -502.707496 where: bonds (distance) C4'-P energy: -88.420 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -110.291 flat angles P-C4'-P energy: -76.061 tors. eta vs tors. theta energy: -129.234 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: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1442.320336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.320336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.320336 (E_RNA) where: Base-Base interactions energy: -952.287 where: short stacking energy: -435.088 Base-Backbone interact. energy: -1.338 local terms energy: -488.694387 where: bonds (distance) C4'-P energy: -95.690 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -108.033 flat angles P-C4'-P energy: -62.376 tors. eta vs tors. theta energy: -131.632 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: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1321.336467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.336467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.336467 (E_RNA) where: Base-Base interactions energy: -872.231 where: short stacking energy: -417.683 Base-Backbone interact. energy: -0.722 local terms energy: -448.383305 where: bonds (distance) C4'-P energy: -73.351 bonds (distance) P-C4' energy: -91.084 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -125.631 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: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1230.989803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.989803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.989803 (E_RNA) where: Base-Base interactions energy: -804.116 where: short stacking energy: -372.949 Base-Backbone interact. energy: -1.389 local terms energy: -425.484813 where: bonds (distance) C4'-P energy: -77.643 bonds (distance) P-C4' energy: -88.293 flat angles C4'-P-C4' energy: -97.668 flat angles P-C4'-P energy: -63.146 tors. eta vs tors. theta energy: -98.734 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: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1185.768657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.768657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.768657 (E_RNA) where: Base-Base interactions energy: -754.227 where: short stacking energy: -345.683 Base-Backbone interact. energy: -4.121 local terms energy: -427.420209 where: bonds (distance) C4'-P energy: -85.565 bonds (distance) P-C4' energy: -93.428 flat angles C4'-P-C4' energy: -91.462 flat angles P-C4'-P energy: -69.097 tors. eta vs tors. theta energy: -87.868 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: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -979.344184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.344184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.344184 (E_RNA) where: Base-Base interactions energy: -635.247 where: short stacking energy: -281.316 Base-Backbone interact. energy: 5.455 local terms energy: -349.552311 where: bonds (distance) C4'-P energy: -72.798 bonds (distance) P-C4' energy: -93.571 flat angles C4'-P-C4' energy: -89.020 flat angles P-C4'-P energy: -47.914 tors. eta vs tors. theta energy: -46.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -886.820664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.820664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.820664 (E_RNA) where: Base-Base interactions energy: -509.141 where: short stacking energy: -264.924 Base-Backbone interact. energy: -2.954 local terms energy: -374.725687 where: bonds (distance) C4'-P energy: -87.271 bonds (distance) P-C4' energy: -94.864 flat angles C4'-P-C4' energy: -85.411 flat angles P-C4'-P energy: -60.716 tors. eta vs tors. theta energy: -46.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -676.496701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.496701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.496701 (E_RNA) where: Base-Base interactions energy: -346.430 where: short stacking energy: -200.868 Base-Backbone interact. energy: -2.164 local terms energy: -327.903056 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -95.484 flat angles C4'-P-C4' energy: -86.952 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -28.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -524.644959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.644959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.644959 (E_RNA) where: Base-Base interactions energy: -257.714 where: short stacking energy: -157.218 Base-Backbone interact. energy: 2.559 local terms energy: -269.489760 where: bonds (distance) C4'-P energy: -85.881 bonds (distance) P-C4' energy: -74.439 flat angles C4'-P-C4' energy: -67.501 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: 14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -370.766144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.766144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.766144 (E_RNA) where: Base-Base interactions energy: -120.120 where: short stacking energy: -107.195 Base-Backbone interact. energy: 0.720 local terms energy: -251.365961 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -98.543 flat angles C4'-P-C4' energy: -51.961 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: 17.080 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: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1572.811483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.811483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.811483 (E_RNA) where: Base-Base interactions energy: -1063.038 where: short stacking energy: -439.431 Base-Backbone interact. energy: -4.305 local terms energy: -505.468358 where: bonds (distance) C4'-P energy: -93.887 bonds (distance) P-C4' energy: -106.408 flat angles C4'-P-C4' energy: -105.169 flat angles P-C4'-P energy: -71.043 tors. eta vs tors. theta energy: -128.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1417.053503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.053503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.053503 (E_RNA) where: Base-Base interactions energy: -938.060 where: short stacking energy: -457.088 Base-Backbone interact. energy: 0.600 local terms energy: -479.593450 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -90.734 flat angles C4'-P-C4' energy: -105.888 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -128.463 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: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1315.029234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.029234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.029234 (E_RNA) where: Base-Base interactions energy: -847.941 where: short stacking energy: -397.273 Base-Backbone interact. energy: -0.816 local terms energy: -466.272734 where: bonds (distance) C4'-P energy: -87.620 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -98.104 flat angles P-C4'-P energy: -72.895 tors. eta vs tors. theta energy: -118.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1181.034906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.034906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.034906 (E_RNA) where: Base-Base interactions energy: -734.533 where: short stacking energy: -356.312 Base-Backbone interact. energy: 1.906 local terms energy: -448.408461 where: bonds (distance) C4'-P energy: -88.499 bonds (distance) P-C4' energy: -91.346 flat angles C4'-P-C4' energy: -108.155 flat angles P-C4'-P energy: -58.457 tors. eta vs tors. theta energy: -101.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1176.866542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.866542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.866542 (E_RNA) where: Base-Base interactions energy: -760.444 where: short stacking energy: -349.411 Base-Backbone interact. energy: -2.676 local terms energy: -413.746663 where: bonds (distance) C4'-P energy: -87.242 bonds (distance) P-C4' energy: -89.727 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -93.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -962.118958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.118958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.118958 (E_RNA) where: Base-Base interactions energy: -600.417 where: short stacking energy: -277.100 Base-Backbone interact. energy: -2.004 local terms energy: -359.697397 where: bonds (distance) C4'-P energy: -75.908 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -90.133 flat angles P-C4'-P energy: -60.500 tors. eta vs tors. theta energy: -53.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -842.329678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.329678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.329678 (E_RNA) where: Base-Base interactions energy: -506.258 where: short stacking energy: -244.085 Base-Backbone interact. energy: 2.175 local terms energy: -338.247177 where: bonds (distance) C4'-P energy: -79.157 bonds (distance) P-C4' energy: -91.242 flat angles C4'-P-C4' energy: -86.812 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -45.962 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: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -655.093201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.093201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.093201 (E_RNA) where: Base-Base interactions energy: -362.481 where: short stacking energy: -204.845 Base-Backbone interact. energy: -1.011 local terms energy: -291.600972 where: bonds (distance) C4'-P energy: -79.038 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -74.936 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -10.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -521.359880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.359880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.359880 (E_RNA) where: Base-Base interactions energy: -240.078 where: short stacking energy: -148.942 Base-Backbone interact. energy: 4.303 local terms energy: -285.584352 where: bonds (distance) C4'-P energy: -82.191 bonds (distance) P-C4' energy: -87.747 flat angles C4'-P-C4' energy: -69.600 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -1.237 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: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -367.122270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.122270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.122270 (E_RNA) where: Base-Base interactions energy: -102.033 where: short stacking energy: -90.544 Base-Backbone interact. energy: -2.150 local terms energy: -262.939375 where: bonds (distance) C4'-P energy: -86.285 bonds (distance) P-C4' energy: -77.659 flat angles C4'-P-C4' energy: -63.654 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: 20.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1532.078381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.078381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.078381 (E_RNA) where: Base-Base interactions energy: -1027.257 where: short stacking energy: -454.612 Base-Backbone interact. energy: -4.929 local terms energy: -499.892610 where: bonds (distance) C4'-P energy: -99.574 bonds (distance) P-C4' energy: -92.759 flat angles C4'-P-C4' energy: -106.916 flat angles P-C4'-P energy: -67.935 tors. eta vs tors. theta energy: -132.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1421.852040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.852040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.852040 (E_RNA) where: Base-Base interactions energy: -930.008 where: short stacking energy: -441.127 Base-Backbone interact. energy: -1.632 local terms energy: -490.212223 where: bonds (distance) C4'-P energy: -90.043 bonds (distance) P-C4' energy: -98.216 flat angles C4'-P-C4' energy: -106.976 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -129.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1318.264922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.264922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.264922 (E_RNA) where: Base-Base interactions energy: -835.329 where: short stacking energy: -407.054 Base-Backbone interact. energy: -1.116 local terms energy: -481.819709 where: bonds (distance) C4'-P energy: -85.666 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -109.464 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -119.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1190.451046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.451046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.451046 (E_RNA) where: Base-Base interactions energy: -756.535 where: short stacking energy: -354.908 Base-Backbone interact. energy: -0.675 local terms energy: -433.240567 where: bonds (distance) C4'-P energy: -88.644 bonds (distance) P-C4' energy: -93.957 flat angles C4'-P-C4' energy: -95.714 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -96.091 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: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1176.214130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.214130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.214130 (E_RNA) where: Base-Base interactions energy: -758.571 where: short stacking energy: -356.414 Base-Backbone interact. energy: -1.063 local terms energy: -416.579628 where: bonds (distance) C4'-P energy: -76.916 bonds (distance) P-C4' energy: -92.338 flat angles C4'-P-C4' energy: -93.224 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: -104.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -979.286730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.286730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.286730 (E_RNA) where: Base-Base interactions energy: -624.845 where: short stacking energy: -304.622 Base-Backbone interact. energy: -2.168 local terms energy: -352.273139 where: bonds (distance) C4'-P energy: -75.694 bonds (distance) P-C4' energy: -84.418 flat angles C4'-P-C4' energy: -83.842 flat angles P-C4'-P energy: -50.671 tors. eta vs tors. theta energy: -57.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -850.065690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.065690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.065690 (E_RNA) where: Base-Base interactions energy: -486.381 where: short stacking energy: -241.080 Base-Backbone interact. energy: -0.307 local terms energy: -363.377236 where: bonds (distance) C4'-P energy: -83.881 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -86.115 flat angles P-C4'-P energy: -46.086 tors. eta vs tors. theta energy: -51.552 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: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -681.960446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.960446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.960446 (E_RNA) where: Base-Base interactions energy: -367.716 where: short stacking energy: -194.638 Base-Backbone interact. energy: 0.171 local terms energy: -314.416149 where: bonds (distance) C4'-P energy: -91.407 bonds (distance) P-C4' energy: -87.927 flat angles C4'-P-C4' energy: -62.947 flat angles P-C4'-P energy: -46.687 tors. eta vs tors. theta energy: -25.449 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: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -508.548733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.548733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.548733 (E_RNA) where: Base-Base interactions energy: -247.967 where: short stacking energy: -145.585 Base-Backbone interact. energy: -1.066 local terms energy: -259.515474 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -80.020 flat angles C4'-P-C4' energy: -56.885 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -401.878962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.878962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.878962 (E_RNA) where: Base-Base interactions energy: -148.100 where: short stacking energy: -117.012 Base-Backbone interact. energy: 5.811 local terms energy: -259.590568 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -87.418 flat angles C4'-P-C4' energy: -63.913 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: 14.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1575.261299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.261299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.261299 (E_RNA) where: Base-Base interactions energy: -1083.607 where: short stacking energy: -463.075 Base-Backbone interact. energy: -4.292 local terms energy: -487.362336 where: bonds (distance) C4'-P energy: -96.853 bonds (distance) P-C4' energy: -97.011 flat angles C4'-P-C4' energy: -106.733 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -124.983 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: 329 Temperature: 0.950000 Total energy: -1432.299205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.299205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.299205 (E_RNA) where: Base-Base interactions energy: -939.131 where: short stacking energy: -425.085 Base-Backbone interact. energy: -0.002 local terms energy: -493.166655 where: bonds (distance) C4'-P energy: -94.455 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -101.101 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -118.921 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: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1295.022665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.022665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.022665 (E_RNA) where: Base-Base interactions energy: -842.746 where: short stacking energy: -405.191 Base-Backbone interact. energy: -1.092 local terms energy: -451.184859 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -103.324 flat angles C4'-P-C4' energy: -98.914 flat angles P-C4'-P energy: -66.516 tors. eta vs tors. theta energy: -107.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1191.402246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.402246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.402246 (E_RNA) where: Base-Base interactions energy: -758.456 where: short stacking energy: -368.209 Base-Backbone interact. energy: -0.323 local terms energy: -432.624065 where: bonds (distance) C4'-P energy: -86.497 bonds (distance) P-C4' energy: -91.366 flat angles C4'-P-C4' energy: -96.152 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -95.929 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: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1147.866752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.866752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.866752 (E_RNA) where: Base-Base interactions energy: -771.529 where: short stacking energy: -349.688 Base-Backbone interact. energy: -1.211 local terms energy: -375.126453 where: bonds (distance) C4'-P energy: -77.640 bonds (distance) P-C4' energy: -77.879 flat angles C4'-P-C4' energy: -90.546 flat angles P-C4'-P energy: -51.397 tors. eta vs tors. theta energy: -77.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1021.843691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.843691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.843691 (E_RNA) where: Base-Base interactions energy: -621.174 where: short stacking energy: -283.631 Base-Backbone interact. energy: -1.623 local terms energy: -399.046957 where: bonds (distance) C4'-P energy: -98.014 bonds (distance) P-C4' energy: -90.186 flat angles C4'-P-C4' energy: -94.747 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -62.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -842.565714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.565714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.565714 (E_RNA) where: Base-Base interactions energy: -495.771 where: short stacking energy: -227.375 Base-Backbone interact. energy: 0.292 local terms energy: -347.086535 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -88.943 flat angles C4'-P-C4' energy: -81.322 flat angles P-C4'-P energy: -57.131 tors. eta vs tors. theta energy: -32.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -634.057094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.057094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.057094 (E_RNA) where: Base-Base interactions energy: -353.982 where: short stacking energy: -200.963 Base-Backbone interact. energy: -0.584 local terms energy: -279.490432 where: bonds (distance) C4'-P energy: -66.892 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -80.823 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -8.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -534.405962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.405962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.405962 (E_RNA) where: Base-Base interactions energy: -264.674 where: short stacking energy: -158.456 Base-Backbone interact. energy: -2.997 local terms energy: -266.735125 where: bonds (distance) C4'-P energy: -86.872 bonds (distance) P-C4' energy: -71.067 flat angles C4'-P-C4' energy: -70.339 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: 2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -365.726115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.726115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.726115 (E_RNA) where: Base-Base interactions energy: -116.997 where: short stacking energy: -105.117 Base-Backbone interact. energy: 0.284 local terms energy: -249.013739 where: bonds (distance) C4'-P energy: -72.271 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -61.312 flat angles P-C4'-P energy: -35.490 tors. eta vs tors. theta energy: 11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1529.031404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.031404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.031404 (E_RNA) where: Base-Base interactions energy: -1048.293 where: short stacking energy: -455.998 Base-Backbone interact. energy: -2.686 local terms energy: -478.052262 where: bonds (distance) C4'-P energy: -92.060 bonds (distance) P-C4' energy: -84.668 flat angles C4'-P-C4' energy: -94.586 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -132.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1425.698963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.698963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.698963 (E_RNA) where: Base-Base interactions energy: -913.539 where: short stacking energy: -409.107 Base-Backbone interact. energy: 0.340 local terms energy: -512.500821 where: bonds (distance) C4'-P energy: -93.742 bonds (distance) P-C4' energy: -106.966 flat angles C4'-P-C4' energy: -111.993 flat angles P-C4'-P energy: -66.068 tors. eta vs tors. theta energy: -133.732 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: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1308.467743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.467743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.467743 (E_RNA) where: Base-Base interactions energy: -835.463 where: short stacking energy: -380.929 Base-Backbone interact. energy: -3.147 local terms energy: -469.857384 where: bonds (distance) C4'-P energy: -95.057 bonds (distance) P-C4' energy: -95.688 flat angles C4'-P-C4' energy: -100.816 flat angles P-C4'-P energy: -75.441 tors. eta vs tors. theta energy: -102.856 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: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1171.902135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.902135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.902135 (E_RNA) where: Base-Base interactions energy: -774.943 where: short stacking energy: -384.583 Base-Backbone interact. energy: -1.123 local terms energy: -395.835972 where: bonds (distance) C4'-P energy: -79.254 bonds (distance) P-C4' energy: -79.697 flat angles C4'-P-C4' energy: -79.976 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -98.512 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: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1147.673613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.673613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.673613 (E_RNA) where: Base-Base interactions energy: -721.738 where: short stacking energy: -326.570 Base-Backbone interact. energy: -2.528 local terms energy: -423.406812 where: bonds (distance) C4'-P energy: -76.600 bonds (distance) P-C4' energy: -97.063 flat angles C4'-P-C4' energy: -90.486 flat angles P-C4'-P energy: -61.827 tors. eta vs tors. theta energy: -97.431 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: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1078.784630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.784630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.784630 (E_RNA) where: Base-Base interactions energy: -658.477 where: short stacking energy: -296.162 Base-Backbone interact. energy: -1.104 local terms energy: -419.203266 where: bonds (distance) C4'-P energy: -92.101 bonds (distance) P-C4' energy: -95.824 flat angles C4'-P-C4' energy: -93.000 flat angles P-C4'-P energy: -66.509 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: 7, replica: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -832.632589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.632589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.632589 (E_RNA) where: Base-Base interactions energy: -480.722 where: short stacking energy: -246.205 Base-Backbone interact. energy: -0.153 local terms energy: -351.757519 where: bonds (distance) C4'-P energy: -80.984 bonds (distance) P-C4' energy: -87.739 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -51.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -601.070332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.070332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.070332 (E_RNA) where: Base-Base interactions energy: -298.496 where: short stacking energy: -191.177 Base-Backbone interact. energy: 4.897 local terms energy: -307.471287 where: bonds (distance) C4'-P energy: -88.384 bonds (distance) P-C4' energy: -68.187 flat angles C4'-P-C4' energy: -79.512 flat angles P-C4'-P energy: -53.005 tors. eta vs tors. theta energy: -18.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -568.417055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.417055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.417055 (E_RNA) where: Base-Base interactions energy: -300.098 where: short stacking energy: -186.502 Base-Backbone interact. energy: -1.340 local terms energy: -266.979471 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -76.461 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -367.331512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.331512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.331512 (E_RNA) where: Base-Base interactions energy: -129.332 where: short stacking energy: -89.438 Base-Backbone interact. energy: 3.204 local terms energy: -241.203074 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -89.938 flat angles C4'-P-C4' energy: -61.956 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: 23.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1555.141764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.141764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.141764 (E_RNA) where: Base-Base interactions energy: -1049.070 where: short stacking energy: -443.043 Base-Backbone interact. energy: -2.583 local terms energy: -503.488405 where: bonds (distance) C4'-P energy: -98.319 bonds (distance) P-C4' energy: -102.187 flat angles C4'-P-C4' energy: -108.683 flat angles P-C4'-P energy: -65.655 tors. eta vs tors. theta energy: -128.644 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: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1446.639788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.639788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.639788 (E_RNA) where: Base-Base interactions energy: -951.193 where: short stacking energy: -442.472 Base-Backbone interact. energy: -1.915 local terms energy: -493.531578 where: bonds (distance) C4'-P energy: -103.002 bonds (distance) P-C4' energy: -94.238 flat angles C4'-P-C4' energy: -103.754 flat angles P-C4'-P energy: -62.151 tors. eta vs tors. theta energy: -130.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1286.422654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.422654 (E_RNA) where: Base-Base interactions energy: -854.580 where: short stacking energy: -399.218 Base-Backbone interact. energy: -0.878 local terms energy: -430.965514 where: bonds (distance) C4'-P energy: -92.352 bonds (distance) P-C4' energy: -81.221 flat angles C4'-P-C4' energy: -99.014 flat angles P-C4'-P energy: -59.838 tors. eta vs tors. theta energy: -98.541 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: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1194.135372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.135372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.135372 (E_RNA) where: Base-Base interactions energy: -765.837 where: short stacking energy: -363.906 Base-Backbone interact. energy: -0.397 local terms energy: -427.901231 where: bonds (distance) C4'-P energy: -77.419 bonds (distance) P-C4' energy: -89.782 flat angles C4'-P-C4' energy: -97.680 flat angles P-C4'-P energy: -67.687 tors. eta vs tors. theta energy: -95.333 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: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1163.139745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.139745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.139745 (E_RNA) where: Base-Base interactions energy: -734.997 where: short stacking energy: -326.737 Base-Backbone interact. energy: -1.215 local terms energy: -426.927733 where: bonds (distance) C4'-P energy: -89.039 bonds (distance) P-C4' energy: -94.066 flat angles C4'-P-C4' energy: -88.549 flat angles P-C4'-P energy: -62.758 tors. eta vs tors. theta energy: -92.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1032.052737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.052737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.052737 (E_RNA) where: Base-Base interactions energy: -642.993 where: short stacking energy: -309.341 Base-Backbone interact. energy: -1.875 local terms energy: -387.185164 where: bonds (distance) C4'-P energy: -83.841 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -91.972 flat angles P-C4'-P energy: -50.743 tors. eta vs tors. theta energy: -76.922 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: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -844.104613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.104613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.104613 (E_RNA) where: Base-Base interactions energy: -491.972 where: short stacking energy: -241.143 Base-Backbone interact. energy: -1.564 local terms energy: -350.568319 where: bonds (distance) C4'-P energy: -88.271 bonds (distance) P-C4' energy: -88.972 flat angles C4'-P-C4' energy: -85.308 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -45.883 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: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -567.193677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.193677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.193677 (E_RNA) where: Base-Base interactions energy: -271.735 where: short stacking energy: -155.711 Base-Backbone interact. energy: -0.233 local terms energy: -295.224900 where: bonds (distance) C4'-P energy: -78.604 bonds (distance) P-C4' energy: -87.359 flat angles C4'-P-C4' energy: -68.404 flat angles P-C4'-P energy: -49.245 tors. eta vs tors. theta energy: -11.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -553.794067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.794067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.794067 (E_RNA) where: Base-Base interactions energy: -254.405 where: short stacking energy: -159.089 Base-Backbone interact. energy: 3.137 local terms energy: -302.525415 where: bonds (distance) C4'-P energy: -76.348 bonds (distance) P-C4' energy: -91.774 flat angles C4'-P-C4' energy: -67.749 flat angles P-C4'-P energy: -49.017 tors. eta vs tors. theta energy: -17.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -377.501384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.501384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.501384 (E_RNA) where: Base-Base interactions energy: -129.810 where: short stacking energy: -101.072 Base-Backbone interact. energy: -0.068 local terms energy: -247.624038 where: bonds (distance) C4'-P energy: -88.649 bonds (distance) P-C4' energy: -74.690 flat angles C4'-P-C4' energy: -66.443 flat angles P-C4'-P energy: -37.740 tors. eta vs tors. theta energy: 19.898 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: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1558.891183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.891183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.891183 (E_RNA) where: Base-Base interactions energy: -1054.513 where: short stacking energy: -433.782 Base-Backbone interact. energy: -3.334 local terms energy: -501.043569 where: bonds (distance) C4'-P energy: -91.887 bonds (distance) P-C4' energy: -102.656 flat angles C4'-P-C4' energy: -108.451 flat angles P-C4'-P energy: -71.604 tors. eta vs tors. theta energy: -126.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1453.732841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.732841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.732841 (E_RNA) where: Base-Base interactions energy: -951.341 where: short stacking energy: -440.893 Base-Backbone interact. energy: -0.617 local terms energy: -501.774734 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -90.048 flat angles C4'-P-C4' energy: -103.773 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -133.727 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1307.564611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.564611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.564611 (E_RNA) where: Base-Base interactions energy: -851.120 where: short stacking energy: -393.220 Base-Backbone interact. energy: -1.968 local terms energy: -454.477100 where: bonds (distance) C4'-P energy: -89.327 bonds (distance) P-C4' energy: -98.345 flat angles C4'-P-C4' energy: -102.187 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: -100.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1205.716122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.716122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.716122 (E_RNA) where: Base-Base interactions energy: -765.752 where: short stacking energy: -349.029 Base-Backbone interact. energy: 1.299 local terms energy: -441.263287 where: bonds (distance) C4'-P energy: -84.728 bonds (distance) P-C4' energy: -95.056 flat angles C4'-P-C4' energy: -96.480 flat angles P-C4'-P energy: -62.854 tors. eta vs tors. theta energy: -102.145 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: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1162.288874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.288874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.288874 (E_RNA) where: Base-Base interactions energy: -750.587 where: short stacking energy: -356.074 Base-Backbone interact. energy: 0.475 local terms energy: -412.176397 where: bonds (distance) C4'-P energy: -75.863 bonds (distance) P-C4' energy: -95.722 flat angles C4'-P-C4' energy: -96.909 flat angles P-C4'-P energy: -57.851 tors. eta vs tors. theta energy: -85.831 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: 332 Temperature: 1.150000 Total energy: -1018.197158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.197158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.197158 (E_RNA) where: Base-Base interactions energy: -625.200 where: short stacking energy: -301.894 Base-Backbone interact. energy: 0.797 local terms energy: -393.794631 where: bonds (distance) C4'-P energy: -85.047 bonds (distance) P-C4' energy: -86.938 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -57.063 tors. eta vs tors. theta energy: -72.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -845.665007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.665007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.665007 (E_RNA) where: Base-Base interactions energy: -510.481 where: short stacking energy: -251.438 Base-Backbone interact. energy: -0.472 local terms energy: -334.711947 where: bonds (distance) C4'-P energy: -79.373 bonds (distance) P-C4' energy: -79.054 flat angles C4'-P-C4' energy: -77.431 flat angles P-C4'-P energy: -49.124 tors. eta vs tors. theta energy: -49.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -624.550146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.550146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.550146 (E_RNA) where: Base-Base interactions energy: -349.968 where: short stacking energy: -184.467 Base-Backbone interact. energy: 7.372 local terms energy: -281.953761 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -81.179 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: -5.101 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: 332 Temperature: 1.300000 Total energy: -547.663983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.663983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.663983 (E_RNA) where: Base-Base interactions energy: -266.066 where: short stacking energy: -150.636 Base-Backbone interact. energy: -1.351 local terms energy: -280.246599 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -40.511 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -401.583234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.583234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.583234 (E_RNA) where: Base-Base interactions energy: -137.095 where: short stacking energy: -118.601 Base-Backbone interact. energy: 3.851 local terms energy: -268.339946 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -96.076 flat angles C4'-P-C4' energy: -68.993 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: 12.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1548.009077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.009077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.009077 (E_RNA) where: Base-Base interactions energy: -1050.361 where: short stacking energy: -454.831 Base-Backbone interact. energy: -1.785 local terms energy: -495.862658 where: bonds (distance) C4'-P energy: -90.433 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -112.151 flat angles P-C4'-P energy: -73.109 tors. eta vs tors. theta energy: -128.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1470.576104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.576104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.576104 (E_RNA) where: Base-Base interactions energy: -953.563 where: short stacking energy: -456.624 Base-Backbone interact. energy: 0.101 local terms energy: -517.114177 where: bonds (distance) C4'-P energy: -86.263 bonds (distance) P-C4' energy: -102.678 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -72.165 tors. eta vs tors. theta energy: -147.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1290.673447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.673447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.673447 (E_RNA) where: Base-Base interactions energy: -853.620 where: short stacking energy: -387.350 Base-Backbone interact. energy: -4.421 local terms energy: -432.632273 where: bonds (distance) C4'-P energy: -84.915 bonds (distance) P-C4' energy: -93.889 flat angles C4'-P-C4' energy: -92.923 flat angles P-C4'-P energy: -66.342 tors. eta vs tors. theta energy: -94.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1214.271759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.271759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.271759 (E_RNA) where: Base-Base interactions energy: -801.294 where: short stacking energy: -336.922 Base-Backbone interact. energy: 4.375 local terms energy: -417.352187 where: bonds (distance) C4'-P energy: -85.414 bonds (distance) P-C4' energy: -96.178 flat angles C4'-P-C4' energy: -92.323 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -89.324 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1176.556745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.556745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.556745 (E_RNA) where: Base-Base interactions energy: -764.576 where: short stacking energy: -367.922 Base-Backbone interact. energy: -0.816 local terms energy: -411.165314 where: bonds (distance) C4'-P energy: -86.714 bonds (distance) P-C4' energy: -64.967 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -103.980 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: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1062.544801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.544801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.544801 (E_RNA) where: Base-Base interactions energy: -678.815 where: short stacking energy: -315.572 Base-Backbone interact. energy: 3.904 local terms energy: -387.632917 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -80.172 flat angles C4'-P-C4' energy: -97.597 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -91.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -820.992942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.992942 (E_RNA) where: Base-Base interactions energy: -471.952 where: short stacking energy: -234.594 Base-Backbone interact. energy: -1.004 local terms energy: -348.036972 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -97.280 flat angles C4'-P-C4' energy: -90.304 flat angles P-C4'-P energy: -32.732 tors. eta vs tors. theta energy: -47.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -590.226700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.226700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.226700 (E_RNA) where: Base-Base interactions energy: -298.436 where: short stacking energy: -168.068 Base-Backbone interact. energy: 0.003 local terms energy: -291.793361 where: bonds (distance) C4'-P energy: -70.673 bonds (distance) P-C4' energy: -94.316 flat angles C4'-P-C4' energy: -76.902 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: -12.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -546.746638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.746638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.746638 (E_RNA) where: Base-Base interactions energy: -264.572 where: short stacking energy: -150.541 Base-Backbone interact. energy: 5.119 local terms energy: -287.293715 where: bonds (distance) C4'-P energy: -75.764 bonds (distance) P-C4' energy: -81.631 flat angles C4'-P-C4' energy: -68.721 flat angles P-C4'-P energy: -55.732 tors. eta vs tors. theta energy: -5.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -404.074107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.074107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.074107 (E_RNA) where: Base-Base interactions energy: -167.631 where: short stacking energy: -104.836 Base-Backbone interact. energy: -3.364 local terms energy: -233.078894 where: bonds (distance) C4'-P energy: -75.766 bonds (distance) P-C4' energy: -73.974 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -32.121 tors. eta vs tors. theta energy: 25.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1540.520822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.520822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.520822 (E_RNA) where: Base-Base interactions energy: -1030.495 where: short stacking energy: -450.177 Base-Backbone interact. energy: -1.885 local terms energy: -508.141149 where: bonds (distance) C4'-P energy: -100.925 bonds (distance) P-C4' energy: -102.398 flat angles C4'-P-C4' energy: -99.702 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -133.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1490.287087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.287087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.287087 (E_RNA) where: Base-Base interactions energy: -1015.817 where: short stacking energy: -484.322 Base-Backbone interact. energy: 4.617 local terms energy: -479.087296 where: bonds (distance) C4'-P energy: -84.135 bonds (distance) P-C4' energy: -87.287 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -58.535 tors. eta vs tors. theta energy: -142.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1277.815691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.815691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.815691 (E_RNA) where: Base-Base interactions energy: -838.030 where: short stacking energy: -406.224 Base-Backbone interact. energy: -0.057 local terms energy: -439.728910 where: bonds (distance) C4'-P energy: -79.395 bonds (distance) P-C4' energy: -87.761 flat angles C4'-P-C4' energy: -101.666 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -112.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1239.343286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.343286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.343286 (E_RNA) where: Base-Base interactions energy: -807.411 where: short stacking energy: -387.365 Base-Backbone interact. energy: -0.414 local terms energy: -431.518429 where: bonds (distance) C4'-P energy: -88.396 bonds (distance) P-C4' energy: -87.476 flat angles C4'-P-C4' energy: -94.166 flat angles P-C4'-P energy: -68.054 tors. eta vs tors. theta energy: -93.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1157.661802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.661802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.661802 (E_RNA) where: Base-Base interactions energy: -754.755 where: short stacking energy: -355.253 Base-Backbone interact. energy: -1.929 local terms energy: -400.977694 where: bonds (distance) C4'-P energy: -76.552 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -85.691 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -96.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1043.412191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.412191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.412191 (E_RNA) where: Base-Base interactions energy: -663.673 where: short stacking energy: -298.405 Base-Backbone interact. energy: -4.088 local terms energy: -375.651582 where: bonds (distance) C4'-P energy: -75.411 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -67.698 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: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -804.684783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.684783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.684783 (E_RNA) where: Base-Base interactions energy: -466.672 where: short stacking energy: -233.279 Base-Backbone interact. energy: 0.725 local terms energy: -338.737505 where: bonds (distance) C4'-P energy: -82.201 bonds (distance) P-C4' energy: -85.255 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: -45.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -622.954391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.954391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.954391 (E_RNA) where: Base-Base interactions energy: -325.786 where: short stacking energy: -186.998 Base-Backbone interact. energy: 0.580 local terms energy: -297.748381 where: bonds (distance) C4'-P energy: -75.803 bonds (distance) P-C4' energy: -78.382 flat angles C4'-P-C4' energy: -71.366 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -28.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -595.313001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.313001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.313001 (E_RNA) where: Base-Base interactions energy: -288.837 where: short stacking energy: -164.857 Base-Backbone interact. energy: 0.699 local terms energy: -307.175205 where: bonds (distance) C4'-P energy: -87.136 bonds (distance) P-C4' energy: -75.110 flat angles C4'-P-C4' energy: -80.064 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -11.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -403.073170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.073170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.073170 (E_RNA) where: Base-Base interactions energy: -152.229 where: short stacking energy: -104.058 Base-Backbone interact. energy: 0.537 local terms energy: -251.381395 where: bonds (distance) C4'-P energy: -62.081 bonds (distance) P-C4' energy: -91.243 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -33.110 tors. eta vs tors. theta energy: 9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1559.107844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.107844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.107844 (E_RNA) where: Base-Base interactions energy: -1063.476 where: short stacking energy: -455.860 Base-Backbone interact. energy: -4.543 local terms energy: -491.088531 where: bonds (distance) C4'-P energy: -93.853 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -102.579 flat angles P-C4'-P energy: -66.309 tors. eta vs tors. theta energy: -130.395 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: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1487.415482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.415482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.415482 (E_RNA) where: Base-Base interactions energy: -977.233 where: short stacking energy: -466.823 Base-Backbone interact. energy: 0.005 local terms energy: -510.187824 where: bonds (distance) C4'-P energy: -94.857 bonds (distance) P-C4' energy: -95.243 flat angles C4'-P-C4' energy: -106.866 flat angles P-C4'-P energy: -74.727 tors. eta vs tors. theta energy: -138.495 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: 3, replica: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1312.247092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.247092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.247092 (E_RNA) where: Base-Base interactions energy: -851.201 where: short stacking energy: -422.006 Base-Backbone interact. energy: -2.221 local terms energy: -458.825429 where: bonds (distance) C4'-P energy: -90.815 bonds (distance) P-C4' energy: -95.748 flat angles C4'-P-C4' energy: -96.677 flat angles P-C4'-P energy: -60.468 tors. eta vs tors. theta energy: -115.117 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: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1179.692624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.692624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.692624 (E_RNA) where: Base-Base interactions energy: -736.449 where: short stacking energy: -346.706 Base-Backbone interact. energy: -2.924 local terms energy: -440.318799 where: bonds (distance) C4'-P energy: -93.090 bonds (distance) P-C4' energy: -94.974 flat angles C4'-P-C4' energy: -96.141 flat angles P-C4'-P energy: -68.981 tors. eta vs tors. theta energy: -87.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1156.597558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.597558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.597558 (E_RNA) where: Base-Base interactions energy: -736.946 where: short stacking energy: -366.679 Base-Backbone interact. energy: -2.595 local terms energy: -417.057141 where: bonds (distance) C4'-P energy: -86.478 bonds (distance) P-C4' energy: -81.851 flat angles C4'-P-C4' energy: -98.515 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: -94.903 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: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -964.467058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.467058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.467058 (E_RNA) where: Base-Base interactions energy: -603.151 where: short stacking energy: -310.294 Base-Backbone interact. energy: -1.105 local terms energy: -360.211230 where: bonds (distance) C4'-P energy: -73.997 bonds (distance) P-C4' energy: -84.484 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -47.442 tors. eta vs tors. theta energy: -70.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -778.164841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.164841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.164841 (E_RNA) where: Base-Base interactions energy: -463.270 where: short stacking energy: -214.478 Base-Backbone interact. energy: 2.387 local terms energy: -317.282102 where: bonds (distance) C4'-P energy: -72.891 bonds (distance) P-C4' energy: -83.973 flat angles C4'-P-C4' energy: -76.254 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -29.349 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: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -658.280265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.280265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.280265 (E_RNA) where: Base-Base interactions energy: -358.493 where: short stacking energy: -204.312 Base-Backbone interact. energy: -1.902 local terms energy: -297.885507 where: bonds (distance) C4'-P energy: -80.591 bonds (distance) P-C4' energy: -74.196 flat angles C4'-P-C4' energy: -77.324 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -15.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -547.325708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.325708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.325708 (E_RNA) where: Base-Base interactions energy: -261.849 where: short stacking energy: -157.993 Base-Backbone interact. energy: 0.282 local terms energy: -285.759217 where: bonds (distance) C4'-P energy: -70.008 bonds (distance) P-C4' energy: -86.944 flat angles C4'-P-C4' energy: -74.786 flat angles P-C4'-P energy: -44.011 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -421.197370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.197370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.197370 (E_RNA) where: Base-Base interactions energy: -164.453 where: short stacking energy: -119.898 Base-Backbone interact. energy: -1.378 local terms energy: -255.366586 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -84.570 flat angles C4'-P-C4' energy: -79.029 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: 12.416 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: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1541.092142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.092142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.092142 (E_RNA) where: Base-Base interactions energy: -1050.432 where: short stacking energy: -441.157 Base-Backbone interact. energy: -2.066 local terms energy: -488.593624 where: bonds (distance) C4'-P energy: -98.988 bonds (distance) P-C4' energy: -99.803 flat angles C4'-P-C4' energy: -102.226 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -122.118 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: 336 Temperature: 0.950000 Total energy: -1482.772633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.772633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.772633 (E_RNA) where: Base-Base interactions energy: -970.442 where: short stacking energy: -473.164 Base-Backbone interact. energy: -2.189 local terms energy: -510.141333 where: bonds (distance) C4'-P energy: -94.762 bonds (distance) P-C4' energy: -94.477 flat angles C4'-P-C4' energy: -105.217 flat angles P-C4'-P energy: -74.856 tors. eta vs tors. theta energy: -140.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1329.796539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.796539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.796539 (E_RNA) where: Base-Base interactions energy: -875.875 where: short stacking energy: -436.007 Base-Backbone interact. energy: 4.564 local terms energy: -458.486012 where: bonds (distance) C4'-P energy: -78.376 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -90.292 flat angles P-C4'-P energy: -53.170 tors. eta vs tors. theta energy: -133.371 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: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1191.375827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.375827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.375827 (E_RNA) where: Base-Base interactions energy: -790.254 where: short stacking energy: -356.341 Base-Backbone interact. energy: -0.221 local terms energy: -400.900478 where: bonds (distance) C4'-P energy: -85.430 bonds (distance) P-C4' energy: -83.509 flat angles C4'-P-C4' energy: -99.180 flat angles P-C4'-P energy: -55.801 tors. eta vs tors. theta energy: -76.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1139.664448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.664448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.664448 (E_RNA) where: Base-Base interactions energy: -760.340 where: short stacking energy: -339.368 Base-Backbone interact. energy: -1.411 local terms energy: -377.913886 where: bonds (distance) C4'-P energy: -73.178 bonds (distance) P-C4' energy: -77.280 flat angles C4'-P-C4' energy: -80.122 flat angles P-C4'-P energy: -54.507 tors. eta vs tors. theta energy: -92.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -978.483061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.483061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.483061 (E_RNA) where: Base-Base interactions energy: -609.964 where: short stacking energy: -292.967 Base-Backbone interact. energy: -1.601 local terms energy: -366.918152 where: bonds (distance) C4'-P energy: -69.950 bonds (distance) P-C4' energy: -84.169 flat angles C4'-P-C4' energy: -93.119 flat angles P-C4'-P energy: -50.085 tors. eta vs tors. theta energy: -69.596 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: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -798.934154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.934154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.934154 (E_RNA) where: Base-Base interactions energy: -448.661 where: short stacking energy: -239.095 Base-Backbone interact. energy: 1.231 local terms energy: -351.504747 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -75.830 flat angles C4'-P-C4' energy: -85.843 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -44.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -592.288999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.288999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.288999 (E_RNA) where: Base-Base interactions energy: -293.129 where: short stacking energy: -177.066 Base-Backbone interact. energy: -3.583 local terms energy: -295.577787 where: bonds (distance) C4'-P energy: -83.075 bonds (distance) P-C4' energy: -86.749 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -44.108 tors. eta vs tors. theta energy: -14.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -453.976875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.976875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.976875 (E_RNA) where: Base-Base interactions energy: -199.937 where: short stacking energy: -144.938 Base-Backbone interact. energy: -0.094 local terms energy: -253.945076 where: bonds (distance) C4'-P energy: -55.847 bonds (distance) P-C4' energy: -94.112 flat angles C4'-P-C4' energy: -51.206 flat angles P-C4'-P energy: -45.704 tors. eta vs tors. theta energy: -7.076 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: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -476.303977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.303977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.303977 (E_RNA) where: Base-Base interactions energy: -216.294 where: short stacking energy: -132.279 Base-Backbone interact. energy: 1.245 local terms energy: -261.255512 where: bonds (distance) C4'-P energy: -49.840 bonds (distance) P-C4' energy: -99.899 flat angles C4'-P-C4' energy: -63.554 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1528.648371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.648371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.648371 (E_RNA) where: Base-Base interactions energy: -1040.890 where: short stacking energy: -436.423 Base-Backbone interact. energy: -2.126 local terms energy: -485.632788 where: bonds (distance) C4'-P energy: -99.176 bonds (distance) P-C4' energy: -89.392 flat angles C4'-P-C4' energy: -99.727 flat angles P-C4'-P energy: -70.408 tors. eta vs tors. theta energy: -126.930 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: 337 Temperature: 0.950000 Total energy: -1475.724590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.724590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.724590 (E_RNA) where: Base-Base interactions energy: -985.000 where: short stacking energy: -464.690 Base-Backbone interact. energy: -2.212 local terms energy: -488.512865 where: bonds (distance) C4'-P energy: -98.508 bonds (distance) P-C4' energy: -78.109 flat angles C4'-P-C4' energy: -103.789 flat angles P-C4'-P energy: -67.993 tors. eta vs tors. theta energy: -140.114 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: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1338.883544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.883544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.883544 (E_RNA) where: Base-Base interactions energy: -869.013 where: short stacking energy: -400.167 Base-Backbone interact. energy: -4.294 local terms energy: -465.576348 where: bonds (distance) C4'-P energy: -88.313 bonds (distance) P-C4' energy: -91.538 flat angles C4'-P-C4' energy: -93.755 flat angles P-C4'-P energy: -73.458 tors. eta vs tors. theta energy: -118.511 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: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1224.178102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.178102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.178102 (E_RNA) where: Base-Base interactions energy: -780.202 where: short stacking energy: -368.772 Base-Backbone interact. energy: -0.212 local terms energy: -443.764027 where: bonds (distance) C4'-P energy: -97.844 bonds (distance) P-C4' energy: -82.775 flat angles C4'-P-C4' energy: -98.922 flat angles P-C4'-P energy: -57.900 tors. eta vs tors. theta energy: -106.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1170.050870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.050870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.050870 (E_RNA) where: Base-Base interactions energy: -755.959 where: short stacking energy: -326.514 Base-Backbone interact. energy: -1.479 local terms energy: -412.612663 where: bonds (distance) C4'-P energy: -79.264 bonds (distance) P-C4' energy: -88.885 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -94.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1023.154647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.154647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.154647 (E_RNA) where: Base-Base interactions energy: -622.766 where: short stacking energy: -311.021 Base-Backbone interact. energy: -1.328 local terms energy: -399.060561 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -84.976 flat angles C4'-P-C4' energy: -96.608 flat angles P-C4'-P energy: -56.248 tors. eta vs tors. theta energy: -91.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -802.856560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.856560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.856560 (E_RNA) where: Base-Base interactions energy: -465.338 where: short stacking energy: -237.839 Base-Backbone interact. energy: -2.744 local terms energy: -334.774695 where: bonds (distance) C4'-P energy: -94.656 bonds (distance) P-C4' energy: -84.775 flat angles C4'-P-C4' energy: -69.430 flat angles P-C4'-P energy: -53.853 tors. eta vs tors. theta energy: -32.060 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: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -570.618026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.618026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.618026 (E_RNA) where: Base-Base interactions energy: -293.011 where: short stacking energy: -175.804 Base-Backbone interact. energy: -1.013 local terms energy: -276.594654 where: bonds (distance) C4'-P energy: -70.439 bonds (distance) P-C4' energy: -70.091 flat angles C4'-P-C4' energy: -75.963 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -395.138615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.138615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.138615 (E_RNA) where: Base-Base interactions energy: -153.888 where: short stacking energy: -112.821 Base-Backbone interact. energy: -1.037 local terms energy: -240.213483 where: bonds (distance) C4'-P energy: -76.217 bonds (distance) P-C4' energy: -73.866 flat angles C4'-P-C4' energy: -68.390 flat angles P-C4'-P energy: -36.355 tors. eta vs tors. theta energy: 14.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -487.071195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.071195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.071195 (E_RNA) where: Base-Base interactions energy: -237.411 where: short stacking energy: -143.711 Base-Backbone interact. energy: 0.543 local terms energy: -250.202977 where: bonds (distance) C4'-P energy: -65.271 bonds (distance) P-C4' energy: -78.163 flat angles C4'-P-C4' energy: -74.799 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: 6.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1535.060397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.060397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.060397 (E_RNA) where: Base-Base interactions energy: -1046.254 where: short stacking energy: -423.026 Base-Backbone interact. energy: -1.007 local terms energy: -487.799651 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -104.730 flat angles C4'-P-C4' energy: -108.786 flat angles P-C4'-P energy: -69.796 tors. eta vs tors. theta energy: -120.788 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: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1460.583877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.583877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.583877 (E_RNA) where: Base-Base interactions energy: -966.173 where: short stacking energy: -463.190 Base-Backbone interact. energy: 2.717 local terms energy: -497.127560 where: bonds (distance) C4'-P energy: -78.528 bonds (distance) P-C4' energy: -105.440 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: -134.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1319.093351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.093351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.093351 (E_RNA) where: Base-Base interactions energy: -834.923 where: short stacking energy: -404.609 Base-Backbone interact. energy: -2.888 local terms energy: -481.282613 where: bonds (distance) C4'-P energy: -89.187 bonds (distance) P-C4' energy: -99.849 flat angles C4'-P-C4' energy: -109.541 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -116.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1196.513426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.513426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.513426 (E_RNA) where: Base-Base interactions energy: -770.135 where: short stacking energy: -358.129 Base-Backbone interact. energy: -1.229 local terms energy: -425.149502 where: bonds (distance) C4'-P energy: -79.225 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -96.467 flat angles P-C4'-P energy: -60.664 tors. eta vs tors. theta energy: -98.217 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: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1142.235033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.235033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.235033 (E_RNA) where: Base-Base interactions energy: -733.449 where: short stacking energy: -329.083 Base-Backbone interact. energy: 1.039 local terms energy: -409.825068 where: bonds (distance) C4'-P energy: -90.602 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -98.002 flat angles P-C4'-P energy: -68.208 tors. eta vs tors. theta energy: -73.518 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: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1034.647863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.647863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.647863 (E_RNA) where: Base-Base interactions energy: -624.674 where: short stacking energy: -273.813 Base-Backbone interact. energy: -0.429 local terms energy: -409.545435 where: bonds (distance) C4'-P energy: -97.792 bonds (distance) P-C4' energy: -91.818 flat angles C4'-P-C4' energy: -86.171 flat angles P-C4'-P energy: -55.698 tors. eta vs tors. theta energy: -78.066 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: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -823.429582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.429582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.429582 (E_RNA) where: Base-Base interactions energy: -456.207 where: short stacking energy: -218.453 Base-Backbone interact. energy: -1.950 local terms energy: -365.272597 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -91.725 flat angles C4'-P-C4' energy: -89.969 flat angles P-C4'-P energy: -59.579 tors. eta vs tors. theta energy: -39.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -584.833550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.833550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.833550 (E_RNA) where: Base-Base interactions energy: -274.508 where: short stacking energy: -180.226 Base-Backbone interact. energy: 4.702 local terms energy: -315.027522 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -90.243 flat angles C4'-P-C4' energy: -85.826 flat angles P-C4'-P energy: -46.750 tors. eta vs tors. theta energy: -15.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -544.067533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.067533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.067533 (E_RNA) where: Base-Base interactions energy: -227.876 where: short stacking energy: -144.369 Base-Backbone interact. energy: -1.289 local terms energy: -314.902473 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -88.946 flat angles C4'-P-C4' energy: -90.005 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: 0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -367.739172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.739172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.739172 (E_RNA) where: Base-Base interactions energy: -99.411 where: short stacking energy: -87.684 Base-Backbone interact. energy: 3.228 local terms energy: -271.556515 where: bonds (distance) C4'-P energy: -84.157 bonds (distance) P-C4' energy: -84.638 flat angles C4'-P-C4' energy: -76.755 flat angles P-C4'-P energy: -41.518 tors. eta vs tors. theta energy: 15.512 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: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1531.742838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.742838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.742838 (E_RNA) where: Base-Base interactions energy: -1014.409 where: short stacking energy: -443.287 Base-Backbone interact. energy: -3.817 local terms energy: -513.516386 where: bonds (distance) C4'-P energy: -97.143 bonds (distance) P-C4' energy: -97.481 flat angles C4'-P-C4' energy: -108.268 flat angles P-C4'-P energy: -68.391 tors. eta vs tors. theta energy: -142.235 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: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1468.692264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.692264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.692264 (E_RNA) where: Base-Base interactions energy: -966.954 where: short stacking energy: -449.101 Base-Backbone interact. energy: -1.768 local terms energy: -499.970673 where: bonds (distance) C4'-P energy: -83.628 bonds (distance) P-C4' energy: -95.181 flat angles C4'-P-C4' energy: -118.110 flat angles P-C4'-P energy: -71.731 tors. eta vs tors. theta energy: -131.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1306.222137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.222137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.222137 (E_RNA) where: Base-Base interactions energy: -840.800 where: short stacking energy: -397.726 Base-Backbone interact. energy: -1.828 local terms energy: -463.594147 where: bonds (distance) C4'-P energy: -96.023 bonds (distance) P-C4' energy: -89.496 flat angles C4'-P-C4' energy: -106.891 flat angles P-C4'-P energy: -56.554 tors. eta vs tors. theta energy: -114.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1238.450672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.450672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.450672 (E_RNA) where: Base-Base interactions energy: -785.263 where: short stacking energy: -365.896 Base-Backbone interact. energy: -0.608 local terms energy: -452.579746 where: bonds (distance) C4'-P energy: -87.880 bonds (distance) P-C4' energy: -92.077 flat angles C4'-P-C4' energy: -100.460 flat angles P-C4'-P energy: -67.560 tors. eta vs tors. theta energy: -104.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1114.941065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.941065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.941065 (E_RNA) where: Base-Base interactions energy: -703.918 where: short stacking energy: -346.575 Base-Backbone interact. energy: -1.410 local terms energy: -409.613483 where: bonds (distance) C4'-P energy: -86.601 bonds (distance) P-C4' energy: -92.049 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -51.993 tors. eta vs tors. theta energy: -87.720 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: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1007.639162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.639162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.639162 (E_RNA) where: Base-Base interactions energy: -619.061 where: short stacking energy: -273.046 Base-Backbone interact. energy: -0.373 local terms energy: -388.205901 where: bonds (distance) C4'-P energy: -81.648 bonds (distance) P-C4' energy: -84.147 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -57.251 tors. eta vs tors. theta energy: -88.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -826.885298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.885298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.885298 (E_RNA) where: Base-Base interactions energy: -477.236 where: short stacking energy: -258.394 Base-Backbone interact. energy: -2.932 local terms energy: -346.717338 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -78.892 flat angles C4'-P-C4' energy: -86.782 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: -47.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -640.655167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.655167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.655167 (E_RNA) where: Base-Base interactions energy: -343.948 where: short stacking energy: -175.818 Base-Backbone interact. energy: -3.048 local terms energy: -293.660098 where: bonds (distance) C4'-P energy: -80.531 bonds (distance) P-C4' energy: -84.994 flat angles C4'-P-C4' energy: -70.221 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -11.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -546.170868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.170868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.170868 (E_RNA) where: Base-Base interactions energy: -283.299 where: short stacking energy: -181.548 Base-Backbone interact. energy: 7.024 local terms energy: -269.896331 where: bonds (distance) C4'-P energy: -71.994 bonds (distance) P-C4' energy: -86.071 flat angles C4'-P-C4' energy: -46.038 flat angles P-C4'-P energy: -51.488 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -360.973549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.973549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.973549 (E_RNA) where: Base-Base interactions energy: -141.077 where: short stacking energy: -114.183 Base-Backbone interact. energy: -0.137 local terms energy: -219.759443 where: bonds (distance) C4'-P energy: -51.158 bonds (distance) P-C4' energy: -77.410 flat angles C4'-P-C4' energy: -57.865 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: 4.297 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: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1541.954430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.954430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.954430 (E_RNA) where: Base-Base interactions energy: -1038.191 where: short stacking energy: -460.345 Base-Backbone interact. energy: -2.872 local terms energy: -500.891524 where: bonds (distance) C4'-P energy: -91.351 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -108.548 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -129.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1450.957574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.957574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.957574 (E_RNA) where: Base-Base interactions energy: -951.934 where: short stacking energy: -450.236 Base-Backbone interact. energy: -1.509 local terms energy: -497.514099 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -97.350 flat angles C4'-P-C4' energy: -99.649 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -140.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1289.947844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.947844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.947844 (E_RNA) where: Base-Base interactions energy: -843.384 where: short stacking energy: -411.903 Base-Backbone interact. energy: -1.307 local terms energy: -445.256922 where: bonds (distance) C4'-P energy: -77.157 bonds (distance) P-C4' energy: -81.961 flat angles C4'-P-C4' energy: -103.846 flat angles P-C4'-P energy: -75.242 tors. eta vs tors. theta energy: -107.051 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: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1239.546745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.546745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.546745 (E_RNA) where: Base-Base interactions energy: -786.133 where: short stacking energy: -378.516 Base-Backbone interact. energy: -0.572 local terms energy: -452.842165 where: bonds (distance) C4'-P energy: -92.395 bonds (distance) P-C4' energy: -99.952 flat angles C4'-P-C4' energy: -85.974 flat angles P-C4'-P energy: -64.863 tors. eta vs tors. theta energy: -109.658 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: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1147.687944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.687944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.687944 (E_RNA) where: Base-Base interactions energy: -740.644 where: short stacking energy: -358.323 Base-Backbone interact. energy: -1.373 local terms energy: -405.670074 where: bonds (distance) C4'-P energy: -80.736 bonds (distance) P-C4' energy: -82.945 flat angles C4'-P-C4' energy: -100.515 flat angles P-C4'-P energy: -55.171 tors. eta vs tors. theta energy: -86.304 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: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -980.155190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.155190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.155190 (E_RNA) where: Base-Base interactions energy: -600.263 where: short stacking energy: -287.856 Base-Backbone interact. energy: 1.841 local terms energy: -381.732978 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -81.130 flat angles C4'-P-C4' energy: -77.639 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -68.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -810.521237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.521237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.521237 (E_RNA) where: Base-Base interactions energy: -463.801 where: short stacking energy: -218.402 Base-Backbone interact. energy: -0.425 local terms energy: -346.294935 where: bonds (distance) C4'-P energy: -80.061 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -75.025 flat angles P-C4'-P energy: -49.401 tors. eta vs tors. theta energy: -40.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -665.682531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.682531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.682531 (E_RNA) where: Base-Base interactions energy: -363.518 where: short stacking energy: -195.000 Base-Backbone interact. energy: 0.737 local terms energy: -302.901764 where: bonds (distance) C4'-P energy: -75.497 bonds (distance) P-C4' energy: -83.633 flat angles C4'-P-C4' energy: -77.559 flat angles P-C4'-P energy: -45.709 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -532.706697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.706697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.706697 (E_RNA) where: Base-Base interactions energy: -256.409 where: short stacking energy: -160.161 Base-Backbone interact. energy: 2.557 local terms energy: -278.854451 where: bonds (distance) C4'-P energy: -79.726 bonds (distance) P-C4' energy: -83.594 flat angles C4'-P-C4' energy: -64.174 flat angles P-C4'-P energy: -39.157 tors. eta vs tors. theta energy: -12.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -377.302562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.302562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.302562 (E_RNA) where: Base-Base interactions energy: -130.373 where: short stacking energy: -111.213 Base-Backbone interact. energy: -1.943 local terms energy: -244.986698 where: bonds (distance) C4'-P energy: -56.733 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -78.755 flat angles P-C4'-P energy: -49.858 tors. eta vs tors. theta energy: 16.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1560.810283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.810283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.810283 (E_RNA) where: Base-Base interactions energy: -1047.772 where: short stacking energy: -453.804 Base-Backbone interact. energy: -4.452 local terms energy: -508.586733 where: bonds (distance) C4'-P energy: -90.058 bonds (distance) P-C4' energy: -100.498 flat angles C4'-P-C4' energy: -106.649 flat angles P-C4'-P energy: -69.856 tors. eta vs tors. theta energy: -141.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1449.247092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.247092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.247092 (E_RNA) where: Base-Base interactions energy: -944.692 where: short stacking energy: -440.994 Base-Backbone interact. energy: -4.422 local terms energy: -500.133408 where: bonds (distance) C4'-P energy: -94.004 bonds (distance) P-C4' energy: -98.120 flat angles C4'-P-C4' energy: -106.680 flat angles P-C4'-P energy: -65.497 tors. eta vs tors. theta energy: -135.833 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: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1292.552273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.552273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.552273 (E_RNA) where: Base-Base interactions energy: -828.059 where: short stacking energy: -391.273 Base-Backbone interact. energy: -1.626 local terms energy: -462.867946 where: bonds (distance) C4'-P energy: -96.419 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -109.445 flat angles P-C4'-P energy: -59.291 tors. eta vs tors. theta energy: -110.919 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: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1248.892347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.892347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.892347 (E_RNA) where: Base-Base interactions energy: -809.313 where: short stacking energy: -385.627 Base-Backbone interact. energy: -3.272 local terms energy: -436.307528 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -81.100 flat angles C4'-P-C4' energy: -95.939 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -110.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1133.133830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.133830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.133830 (E_RNA) where: Base-Base interactions energy: -728.072 where: short stacking energy: -348.323 Base-Backbone interact. energy: -1.030 local terms energy: -404.031521 where: bonds (distance) C4'-P energy: -84.646 bonds (distance) P-C4' energy: -79.992 flat angles C4'-P-C4' energy: -87.216 flat angles P-C4'-P energy: -60.715 tors. eta vs tors. theta energy: -91.462 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: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1004.631239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.631239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.631239 (E_RNA) where: Base-Base interactions energy: -619.150 where: short stacking energy: -302.844 Base-Backbone interact. energy: -1.098 local terms energy: -384.383548 where: bonds (distance) C4'-P energy: -79.562 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -95.111 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -80.416 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: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -841.060199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.060199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.060199 (E_RNA) where: Base-Base interactions energy: -499.555 where: short stacking energy: -247.930 Base-Backbone interact. energy: -1.837 local terms energy: -339.668205 where: bonds (distance) C4'-P energy: -88.815 bonds (distance) P-C4' energy: -75.139 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -43.393 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -672.550161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.550161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.550161 (E_RNA) where: Base-Base interactions energy: -354.564 where: short stacking energy: -199.892 Base-Backbone interact. energy: -0.423 local terms energy: -317.562597 where: bonds (distance) C4'-P energy: -78.184 bonds (distance) P-C4' energy: -100.394 flat angles C4'-P-C4' energy: -73.642 flat angles P-C4'-P energy: -50.511 tors. eta vs tors. theta energy: -14.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -528.889256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.889256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.889256 (E_RNA) where: Base-Base interactions energy: -291.411 where: short stacking energy: -159.545 Base-Backbone interact. energy: 0.084 local terms energy: -237.562227 where: bonds (distance) C4'-P energy: -66.562 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -77.023 flat angles P-C4'-P energy: -34.919 tors. eta vs tors. theta energy: 19.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -381.399342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.399342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.399342 (E_RNA) where: Base-Base interactions energy: -131.260 where: short stacking energy: -113.014 Base-Backbone interact. energy: -1.982 local terms energy: -248.157875 where: bonds (distance) C4'-P energy: -81.203 bonds (distance) P-C4' energy: -83.284 flat angles C4'-P-C4' energy: -51.805 flat angles P-C4'-P energy: -34.576 tors. eta vs tors. theta energy: 2.710 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: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1532.145729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.145729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.145729 (E_RNA) where: Base-Base interactions energy: -1047.946 where: short stacking energy: -458.323 Base-Backbone interact. energy: -0.072 local terms energy: -484.127095 where: bonds (distance) C4'-P energy: -95.127 bonds (distance) P-C4' energy: -98.421 flat angles C4'-P-C4' energy: -103.557 flat angles P-C4'-P energy: -65.411 tors. eta vs tors. theta energy: -121.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1459.928640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.928640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.928640 (E_RNA) where: Base-Base interactions energy: -966.297 where: short stacking energy: -443.122 Base-Backbone interact. energy: -0.166 local terms energy: -493.466096 where: bonds (distance) C4'-P energy: -98.147 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -109.726 flat angles P-C4'-P energy: -74.278 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: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1294.342475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.342475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.342475 (E_RNA) where: Base-Base interactions energy: -852.730 where: short stacking energy: -393.661 Base-Backbone interact. energy: 1.174 local terms energy: -442.786556 where: bonds (distance) C4'-P energy: -102.726 bonds (distance) P-C4' energy: -84.758 flat angles C4'-P-C4' energy: -100.397 flat angles P-C4'-P energy: -53.605 tors. eta vs tors. theta energy: -101.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1258.172150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.172150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.172150 (E_RNA) where: Base-Base interactions energy: -812.261 where: short stacking energy: -387.453 Base-Backbone interact. energy: -1.819 local terms energy: -444.091668 where: bonds (distance) C4'-P energy: -87.579 bonds (distance) P-C4' energy: -81.125 flat angles C4'-P-C4' energy: -94.323 flat angles P-C4'-P energy: -72.662 tors. eta vs tors. theta energy: -108.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1207.110589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.110589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.110589 (E_RNA) where: Base-Base interactions energy: -801.862 where: short stacking energy: -368.348 Base-Backbone interact. energy: -0.630 local terms energy: -404.618845 where: bonds (distance) C4'-P energy: -78.957 bonds (distance) P-C4' energy: -75.618 flat angles C4'-P-C4' energy: -97.418 flat angles P-C4'-P energy: -56.482 tors. eta vs tors. theta energy: -96.143 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: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1013.022576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.022576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.022576 (E_RNA) where: Base-Base interactions energy: -613.221 where: short stacking energy: -315.198 Base-Backbone interact. energy: 1.318 local terms energy: -401.119569 where: bonds (distance) C4'-P energy: -85.391 bonds (distance) P-C4' energy: -95.768 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -80.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -839.036883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.036883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.036883 (E_RNA) where: Base-Base interactions energy: -506.048 where: short stacking energy: -213.965 Base-Backbone interact. energy: -2.887 local terms energy: -330.101693 where: bonds (distance) C4'-P energy: -95.260 bonds (distance) P-C4' energy: -93.917 flat angles C4'-P-C4' energy: -68.097 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -17.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -652.649692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.649692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.649692 (E_RNA) where: Base-Base interactions energy: -352.987 where: short stacking energy: -170.868 Base-Backbone interact. energy: 3.273 local terms energy: -302.935791 where: bonds (distance) C4'-P energy: -84.762 bonds (distance) P-C4' energy: -92.951 flat angles C4'-P-C4' energy: -72.052 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -13.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -524.868348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.868348 (E_RNA) where: Base-Base interactions energy: -247.413 where: short stacking energy: -139.782 Base-Backbone interact. energy: -0.696 local terms energy: -276.758765 where: bonds (distance) C4'-P energy: -82.771 bonds (distance) P-C4' energy: -90.290 flat angles C4'-P-C4' energy: -60.462 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: 2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -392.435170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.435170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.435170 (E_RNA) where: Base-Base interactions energy: -168.506 where: short stacking energy: -145.219 Base-Backbone interact. energy: 5.747 local terms energy: -229.676157 where: bonds (distance) C4'-P energy: -64.696 bonds (distance) P-C4' energy: -84.352 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -25.304 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: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1548.969274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.969274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.969274 (E_RNA) where: Base-Base interactions energy: -1074.244 where: short stacking energy: -457.071 Base-Backbone interact. energy: -2.448 local terms energy: -472.277276 where: bonds (distance) C4'-P energy: -85.039 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -105.536 flat angles P-C4'-P energy: -71.065 tors. eta vs tors. theta energy: -120.595 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: 343 Temperature: 0.950000 Total energy: -1444.138888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.138888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.138888 (E_RNA) where: Base-Base interactions energy: -947.522 where: short stacking energy: -445.230 Base-Backbone interact. energy: -1.845 local terms energy: -494.771133 where: bonds (distance) C4'-P energy: -80.670 bonds (distance) P-C4' energy: -98.330 flat angles C4'-P-C4' energy: -96.013 flat angles P-C4'-P energy: -83.556 tors. eta vs tors. theta energy: -136.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1305.471199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.471199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.471199 (E_RNA) where: Base-Base interactions energy: -842.716 where: short stacking energy: -395.200 Base-Backbone interact. energy: -1.003 local terms energy: -461.751660 where: bonds (distance) C4'-P energy: -78.182 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -104.536 flat angles P-C4'-P energy: -69.835 tors. eta vs tors. theta energy: -116.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1244.846324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.846324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.846324 (E_RNA) where: Base-Base interactions energy: -815.536 where: short stacking energy: -360.979 Base-Backbone interact. energy: -1.785 local terms energy: -427.525294 where: bonds (distance) C4'-P energy: -87.152 bonds (distance) P-C4' energy: -76.984 flat angles C4'-P-C4' energy: -102.406 flat angles P-C4'-P energy: -63.797 tors. eta vs tors. theta energy: -97.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1173.053670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.053670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.053670 (E_RNA) where: Base-Base interactions energy: -747.510 where: short stacking energy: -333.709 Base-Backbone interact. energy: -2.536 local terms energy: -423.008078 where: bonds (distance) C4'-P energy: -85.722 bonds (distance) P-C4' energy: -96.911 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -63.012 tors. eta vs tors. theta energy: -85.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -994.504391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.504391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.504391 (E_RNA) where: Base-Base interactions energy: -604.050 where: short stacking energy: -280.501 Base-Backbone interact. energy: -0.120 local terms energy: -390.334261 where: bonds (distance) C4'-P energy: -84.840 bonds (distance) P-C4' energy: -85.439 flat angles C4'-P-C4' energy: -97.215 flat angles P-C4'-P energy: -51.313 tors. eta vs tors. theta energy: -71.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -883.871192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.871192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.871192 (E_RNA) where: Base-Base interactions energy: -535.846 where: short stacking energy: -254.156 Base-Backbone interact. energy: -1.424 local terms energy: -346.601381 where: bonds (distance) C4'-P energy: -75.453 bonds (distance) P-C4' energy: -82.464 flat angles C4'-P-C4' energy: -82.648 flat angles P-C4'-P energy: -57.777 tors. eta vs tors. theta energy: -48.261 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: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -654.698433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.698433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.698433 (E_RNA) where: Base-Base interactions energy: -369.314 where: short stacking energy: -207.908 Base-Backbone interact. energy: -2.130 local terms energy: -283.253869 where: bonds (distance) C4'-P energy: -78.475 bonds (distance) P-C4' energy: -79.333 flat angles C4'-P-C4' energy: -70.541 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -16.574 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: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -561.655581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.655581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.655581 (E_RNA) where: Base-Base interactions energy: -273.544 where: short stacking energy: -154.987 Base-Backbone interact. energy: 0.458 local terms energy: -288.568872 where: bonds (distance) C4'-P energy: -87.663 bonds (distance) P-C4' energy: -84.372 flat angles C4'-P-C4' energy: -73.797 flat angles P-C4'-P energy: -47.640 tors. eta vs tors. theta energy: 4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -367.409972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.409972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.409972 (E_RNA) where: Base-Base interactions energy: -119.356 where: short stacking energy: -98.315 Base-Backbone interact. energy: 5.301 local terms energy: -253.355206 where: bonds (distance) C4'-P energy: -72.668 bonds (distance) P-C4' energy: -84.111 flat angles C4'-P-C4' energy: -65.579 flat angles P-C4'-P energy: -40.025 tors. eta vs tors. theta energy: 9.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1566.641947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.641947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.641947 (E_RNA) where: Base-Base interactions energy: -1079.936 where: short stacking energy: -444.208 Base-Backbone interact. energy: -3.639 local terms energy: -483.067021 where: bonds (distance) C4'-P energy: -71.581 bonds (distance) P-C4' energy: -95.635 flat angles C4'-P-C4' energy: -106.885 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -136.175 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: 344 Temperature: 0.950000 Total energy: -1436.351979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.351979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.351979 (E_RNA) where: Base-Base interactions energy: -928.486 where: short stacking energy: -418.759 Base-Backbone interact. energy: -3.554 local terms energy: -504.312728 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -103.638 flat angles C4'-P-C4' energy: -101.693 flat angles P-C4'-P energy: -65.360 tors. eta vs tors. theta energy: -133.193 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: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1307.710303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.710303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.710303 (E_RNA) where: Base-Base interactions energy: -828.890 where: short stacking energy: -404.611 Base-Backbone interact. energy: 0.081 local terms energy: -478.901480 where: bonds (distance) C4'-P energy: -77.824 bonds (distance) P-C4' energy: -104.506 flat angles C4'-P-C4' energy: -109.875 flat angles P-C4'-P energy: -63.558 tors. eta vs tors. theta energy: -123.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1216.819046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.819046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.819046 (E_RNA) where: Base-Base interactions energy: -789.718 where: short stacking energy: -374.863 Base-Backbone interact. energy: 0.129 local terms energy: -427.230067 where: bonds (distance) C4'-P energy: -86.036 bonds (distance) P-C4' energy: -89.448 flat angles C4'-P-C4' energy: -103.484 flat angles P-C4'-P energy: -57.612 tors. eta vs tors. theta energy: -90.650 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1217.633704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.633704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.633704 (E_RNA) where: Base-Base interactions energy: -803.697 where: short stacking energy: -354.675 Base-Backbone interact. energy: -0.730 local terms energy: -413.206829 where: bonds (distance) C4'-P energy: -89.031 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -80.517 flat angles P-C4'-P energy: -61.593 tors. eta vs tors. theta energy: -103.506 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: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -970.837120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.837120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.837120 (E_RNA) where: Base-Base interactions energy: -578.063 where: short stacking energy: -292.183 Base-Backbone interact. energy: -1.362 local terms energy: -391.412138 where: bonds (distance) C4'-P energy: -94.775 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -69.501 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -79.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -882.727835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.727835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.727835 (E_RNA) where: Base-Base interactions energy: -536.938 where: short stacking energy: -280.684 Base-Backbone interact. energy: -0.891 local terms energy: -344.899451 where: bonds (distance) C4'-P energy: -77.970 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -75.688 flat angles P-C4'-P energy: -53.371 tors. eta vs tors. theta energy: -56.174 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: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -722.535423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.535423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.535423 (E_RNA) where: Base-Base interactions energy: -388.318 where: short stacking energy: -222.264 Base-Backbone interact. energy: -2.228 local terms energy: -331.990039 where: bonds (distance) C4'-P energy: -95.952 bonds (distance) P-C4' energy: -62.180 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: -36.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -514.091773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.091773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.091773 (E_RNA) where: Base-Base interactions energy: -232.745 where: short stacking energy: -147.446 Base-Backbone interact. energy: -0.684 local terms energy: -280.662853 where: bonds (distance) C4'-P energy: -92.462 bonds (distance) P-C4' energy: -80.223 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -352.741649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.741649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.741649 (E_RNA) where: Base-Base interactions energy: -99.568 where: short stacking energy: -89.001 Base-Backbone interact. energy: 1.075 local terms energy: -254.248670 where: bonds (distance) C4'-P energy: -91.809 bonds (distance) P-C4' energy: -74.451 flat angles C4'-P-C4' energy: -56.615 flat angles P-C4'-P energy: -46.877 tors. eta vs tors. theta energy: 15.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1569.841868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.841868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.841868 (E_RNA) where: Base-Base interactions energy: -1073.088 where: short stacking energy: -461.205 Base-Backbone interact. energy: -4.823 local terms energy: -491.931421 where: bonds (distance) C4'-P energy: -85.003 bonds (distance) P-C4' energy: -86.574 flat angles C4'-P-C4' energy: -115.629 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -131.288 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: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1440.849412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.849412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.849412 (E_RNA) where: Base-Base interactions energy: -945.706 where: short stacking energy: -423.496 Base-Backbone interact. energy: -0.560 local terms energy: -494.583580 where: bonds (distance) C4'-P energy: -99.243 bonds (distance) P-C4' energy: -88.457 flat angles C4'-P-C4' energy: -119.234 flat angles P-C4'-P energy: -57.154 tors. eta vs tors. theta energy: -130.495 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: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1295.130258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.130258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.130258 (E_RNA) where: Base-Base interactions energy: -829.608 where: short stacking energy: -402.663 Base-Backbone interact. energy: -1.397 local terms energy: -464.124433 where: bonds (distance) C4'-P energy: -94.534 bonds (distance) P-C4' energy: -91.359 flat angles C4'-P-C4' energy: -102.393 flat angles P-C4'-P energy: -54.081 tors. eta vs tors. theta energy: -121.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1245.790647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.790647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.790647 (E_RNA) where: Base-Base interactions energy: -823.942 where: short stacking energy: -383.786 Base-Backbone interact. energy: -0.722 local terms energy: -421.125958 where: bonds (distance) C4'-P energy: -83.558 bonds (distance) P-C4' energy: -82.109 flat angles C4'-P-C4' energy: -85.929 flat angles P-C4'-P energy: -74.591 tors. eta vs tors. theta energy: -94.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1217.737821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.737821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.737821 (E_RNA) where: Base-Base interactions energy: -776.169 where: short stacking energy: -362.670 Base-Backbone interact. energy: -2.445 local terms energy: -439.123469 where: bonds (distance) C4'-P energy: -83.277 bonds (distance) P-C4' energy: -95.467 flat angles C4'-P-C4' energy: -104.651 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -91.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1002.362470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.362470 (E_RNA) where: Base-Base interactions energy: -624.196 where: short stacking energy: -295.865 Base-Backbone interact. energy: -1.783 local terms energy: -376.383456 where: bonds (distance) C4'-P energy: -84.849 bonds (distance) P-C4' energy: -87.755 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -58.222 tors. eta vs tors. theta energy: -63.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -851.298122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.298122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.298122 (E_RNA) where: Base-Base interactions energy: -498.023 where: short stacking energy: -241.487 Base-Backbone interact. energy: 0.282 local terms energy: -353.557240 where: bonds (distance) C4'-P energy: -75.208 bonds (distance) P-C4' energy: -91.403 flat angles C4'-P-C4' energy: -83.490 flat angles P-C4'-P energy: -64.123 tors. eta vs tors. theta energy: -39.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -659.858080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.858080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.858080 (E_RNA) where: Base-Base interactions energy: -368.156 where: short stacking energy: -186.238 Base-Backbone interact. energy: -0.111 local terms energy: -291.590856 where: bonds (distance) C4'-P energy: -65.774 bonds (distance) P-C4' energy: -84.372 flat angles C4'-P-C4' energy: -73.594 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -24.913 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: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -526.409330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.409330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.409330 (E_RNA) where: Base-Base interactions energy: -262.059 where: short stacking energy: -156.230 Base-Backbone interact. energy: 0.611 local terms energy: -264.961181 where: bonds (distance) C4'-P energy: -79.567 bonds (distance) P-C4' energy: -82.532 flat angles C4'-P-C4' energy: -61.657 flat angles P-C4'-P energy: -39.039 tors. eta vs tors. theta energy: -2.166 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: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -359.707032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.707032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.707032 (E_RNA) where: Base-Base interactions energy: -131.600 where: short stacking energy: -102.975 Base-Backbone interact. energy: 3.233 local terms energy: -231.339626 where: bonds (distance) C4'-P energy: -73.104 bonds (distance) P-C4' energy: -52.859 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -37.870 tors. eta vs tors. theta energy: 6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1558.802986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.802986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.802986 (E_RNA) where: Base-Base interactions energy: -1064.433 where: short stacking energy: -428.849 Base-Backbone interact. energy: -1.354 local terms energy: -493.015970 where: bonds (distance) C4'-P energy: -102.176 bonds (distance) P-C4' energy: -98.434 flat angles C4'-P-C4' energy: -104.087 flat angles P-C4'-P energy: -58.831 tors. eta vs tors. theta energy: -129.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1434.592778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.592778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.592778 (E_RNA) where: Base-Base interactions energy: -978.403 where: short stacking energy: -416.247 Base-Backbone interact. energy: -2.058 local terms energy: -454.131872 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -83.864 flat angles C4'-P-C4' energy: -84.342 flat angles P-C4'-P energy: -64.170 tors. eta vs tors. theta energy: -127.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1274.362206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.362206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.362206 (E_RNA) where: Base-Base interactions energy: -809.322 where: short stacking energy: -389.528 Base-Backbone interact. energy: -0.136 local terms energy: -464.904125 where: bonds (distance) C4'-P energy: -96.064 bonds (distance) P-C4' energy: -83.067 flat angles C4'-P-C4' energy: -105.742 flat angles P-C4'-P energy: -65.180 tors. eta vs tors. theta energy: -114.851 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: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1288.552373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.552373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.552373 (E_RNA) where: Base-Base interactions energy: -843.589 where: short stacking energy: -399.293 Base-Backbone interact. energy: 0.847 local terms energy: -445.810725 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -95.675 flat angles C4'-P-C4' energy: -82.136 flat angles P-C4'-P energy: -63.630 tors. eta vs tors. theta energy: -125.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1158.665172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.665172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.665172 (E_RNA) where: Base-Base interactions energy: -768.146 where: short stacking energy: -345.577 Base-Backbone interact. energy: -2.508 local terms energy: -388.011172 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -72.108 flat angles C4'-P-C4' energy: -85.307 flat angles P-C4'-P energy: -60.798 tors. eta vs tors. theta energy: -81.128 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: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1042.180548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.180548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.180548 (E_RNA) where: Base-Base interactions energy: -659.022 where: short stacking energy: -331.616 Base-Backbone interact. energy: -0.881 local terms energy: -382.277917 where: bonds (distance) C4'-P energy: -74.913 bonds (distance) P-C4' energy: -87.921 flat angles C4'-P-C4' energy: -78.892 flat angles P-C4'-P energy: -54.222 tors. eta vs tors. theta energy: -86.329 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: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -805.652618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.652618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.652618 (E_RNA) where: Base-Base interactions energy: -486.363 where: short stacking energy: -238.559 Base-Backbone interact. energy: 2.029 local terms energy: -321.319063 where: bonds (distance) C4'-P energy: -70.014 bonds (distance) P-C4' energy: -83.813 flat angles C4'-P-C4' energy: -68.220 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -45.798 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: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -665.502374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.502374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.502374 (E_RNA) where: Base-Base interactions energy: -376.313 where: short stacking energy: -189.656 Base-Backbone interact. energy: -3.840 local terms energy: -285.349302 where: bonds (distance) C4'-P energy: -69.667 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -81.458 flat angles P-C4'-P energy: -42.289 tors. eta vs tors. theta energy: -13.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -516.040252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.040252 (E_RNA) where: Base-Base interactions energy: -234.121 where: short stacking energy: -129.426 Base-Backbone interact. energy: -0.871 local terms energy: -281.048178 where: bonds (distance) C4'-P energy: -82.260 bonds (distance) P-C4' energy: -96.544 flat angles C4'-P-C4' energy: -63.027 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -369.218615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.218615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.218615 (E_RNA) where: Base-Base interactions energy: -161.460 where: short stacking energy: -126.309 Base-Backbone interact. energy: -2.202 local terms energy: -205.557013 where: bonds (distance) C4'-P energy: -50.148 bonds (distance) P-C4' energy: -89.324 flat angles C4'-P-C4' energy: -54.416 flat angles P-C4'-P energy: -30.408 tors. eta vs tors. theta energy: 18.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1536.275772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.275772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.275772 (E_RNA) where: Base-Base interactions energy: -1021.886 where: short stacking energy: -444.069 Base-Backbone interact. energy: -4.437 local terms energy: -509.951814 where: bonds (distance) C4'-P energy: -92.135 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -70.960 tors. eta vs tors. theta energy: -130.285 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: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1458.412115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.412115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.412115 (E_RNA) where: Base-Base interactions energy: -969.780 where: short stacking energy: -453.653 Base-Backbone interact. energy: -2.180 local terms energy: -486.451386 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -97.882 flat angles C4'-P-C4' energy: -103.947 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -120.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1308.855306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.855306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.855306 (E_RNA) where: Base-Base interactions energy: -852.566 where: short stacking energy: -384.807 Base-Backbone interact. energy: 0.224 local terms energy: -456.512710 where: bonds (distance) C4'-P energy: -96.636 bonds (distance) P-C4' energy: -81.960 flat angles C4'-P-C4' energy: -102.631 flat angles P-C4'-P energy: -62.985 tors. eta vs tors. theta energy: -112.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1247.026321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.026321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.026321 (E_RNA) where: Base-Base interactions energy: -794.350 where: short stacking energy: -367.704 Base-Backbone interact. energy: -2.591 local terms energy: -450.085075 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -96.104 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -102.272 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: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1149.681625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.681625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.681625 (E_RNA) where: Base-Base interactions energy: -717.461 where: short stacking energy: -349.230 Base-Backbone interact. energy: 0.852 local terms energy: -433.072619 where: bonds (distance) C4'-P energy: -83.015 bonds (distance) P-C4' energy: -97.754 flat angles C4'-P-C4' energy: -95.391 flat angles P-C4'-P energy: -69.889 tors. eta vs tors. theta energy: -87.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1065.260415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.260415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.260415 (E_RNA) where: Base-Base interactions energy: -680.436 where: short stacking energy: -342.538 Base-Backbone interact. energy: -0.481 local terms energy: -384.343751 where: bonds (distance) C4'-P energy: -76.781 bonds (distance) P-C4' energy: -83.569 flat angles C4'-P-C4' energy: -91.363 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -88.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -796.953237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.953237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.953237 (E_RNA) where: Base-Base interactions energy: -484.084 where: short stacking energy: -243.189 Base-Backbone interact. energy: 0.630 local terms energy: -313.499644 where: bonds (distance) C4'-P energy: -64.710 bonds (distance) P-C4' energy: -84.875 flat angles C4'-P-C4' energy: -80.908 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -38.583 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: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -602.117183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.117183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.117183 (E_RNA) where: Base-Base interactions energy: -339.607 where: short stacking energy: -177.152 Base-Backbone interact. energy: 1.115 local terms energy: -263.625358 where: bonds (distance) C4'-P energy: -75.758 bonds (distance) P-C4' energy: -70.021 flat angles C4'-P-C4' energy: -72.125 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -496.879815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.879815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.879815 (E_RNA) where: Base-Base interactions energy: -239.454 where: short stacking energy: -136.252 Base-Backbone interact. energy: 3.502 local terms energy: -260.928024 where: bonds (distance) C4'-P energy: -65.951 bonds (distance) P-C4' energy: -83.002 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: 3.286 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: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -370.229777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.229777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.229777 (E_RNA) where: Base-Base interactions energy: -135.862 where: short stacking energy: -94.859 Base-Backbone interact. energy: 4.321 local terms energy: -238.688898 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -71.676 flat angles C4'-P-C4' energy: -79.721 flat angles P-C4'-P energy: -30.652 tors. eta vs tors. theta energy: 20.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1539.079338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.079338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.079338 (E_RNA) where: Base-Base interactions energy: -1026.984 where: short stacking energy: -426.536 Base-Backbone interact. energy: -1.436 local terms energy: -510.659816 where: bonds (distance) C4'-P energy: -105.392 bonds (distance) P-C4' energy: -100.653 flat angles C4'-P-C4' energy: -102.967 flat angles P-C4'-P energy: -65.946 tors. eta vs tors. theta energy: -135.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1449.883846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.883846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.883846 (E_RNA) where: Base-Base interactions energy: -962.642 where: short stacking energy: -428.155 Base-Backbone interact. energy: -0.481 local terms energy: -486.760324 where: bonds (distance) C4'-P energy: -89.808 bonds (distance) P-C4' energy: -91.135 flat angles C4'-P-C4' energy: -108.135 flat angles P-C4'-P energy: -68.094 tors. eta vs tors. theta energy: -129.589 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1299.433718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.433718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.433718 (E_RNA) where: Base-Base interactions energy: -863.854 where: short stacking energy: -385.310 Base-Backbone interact. energy: -1.068 local terms energy: -434.511571 where: bonds (distance) C4'-P energy: -86.678 bonds (distance) P-C4' energy: -77.124 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -65.034 tors. eta vs tors. theta energy: -108.226 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: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1335.896250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.896250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.896250 (E_RNA) where: Base-Base interactions energy: -857.731 where: short stacking energy: -401.372 Base-Backbone interact. energy: -0.228 local terms energy: -477.937109 where: bonds (distance) C4'-P energy: -91.001 bonds (distance) P-C4' energy: -94.296 flat angles C4'-P-C4' energy: -99.927 flat angles P-C4'-P energy: -67.306 tors. eta vs tors. theta energy: -125.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1120.332308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.332308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.332308 (E_RNA) where: Base-Base interactions energy: -711.973 where: short stacking energy: -325.810 Base-Backbone interact. energy: -1.329 local terms energy: -407.030531 where: bonds (distance) C4'-P energy: -83.875 bonds (distance) P-C4' energy: -80.081 flat angles C4'-P-C4' energy: -101.182 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -79.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1032.632638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.632638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.632638 (E_RNA) where: Base-Base interactions energy: -632.543 where: short stacking energy: -299.614 Base-Backbone interact. energy: -2.850 local terms energy: -397.240114 where: bonds (distance) C4'-P energy: -94.458 bonds (distance) P-C4' energy: -78.583 flat angles C4'-P-C4' energy: -89.075 flat angles P-C4'-P energy: -55.967 tors. eta vs tors. theta energy: -79.156 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: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -804.118184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.118184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.118184 (E_RNA) where: Base-Base interactions energy: -464.130 where: short stacking energy: -227.769 Base-Backbone interact. energy: -0.224 local terms energy: -339.764225 where: bonds (distance) C4'-P energy: -72.800 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -86.586 flat angles P-C4'-P energy: -52.715 tors. eta vs tors. theta energy: -49.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -610.538995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.538995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.538995 (E_RNA) where: Base-Base interactions energy: -310.195 where: short stacking energy: -196.477 Base-Backbone interact. energy: 0.587 local terms energy: -300.930794 where: bonds (distance) C4'-P energy: -82.239 bonds (distance) P-C4' energy: -83.240 flat angles C4'-P-C4' energy: -82.403 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: -12.233 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -542.792868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.792868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.792868 (E_RNA) where: Base-Base interactions energy: -249.862 where: short stacking energy: -139.513 Base-Backbone interact. energy: 2.280 local terms energy: -295.210840 where: bonds (distance) C4'-P energy: -73.889 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -71.567 flat angles P-C4'-P energy: -57.993 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -370.362447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.362447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.362447 (E_RNA) where: Base-Base interactions energy: -125.786 where: short stacking energy: -112.518 Base-Backbone interact. energy: -1.018 local terms energy: -243.558667 where: bonds (distance) C4'-P energy: -55.999 bonds (distance) P-C4' energy: -83.619 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: 7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1593.375004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.375004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.375004 (E_RNA) where: Base-Base interactions energy: -1065.023 where: short stacking energy: -472.669 Base-Backbone interact. energy: -5.343 local terms energy: -523.009329 where: bonds (distance) C4'-P energy: -98.487 bonds (distance) P-C4' energy: -96.202 flat angles C4'-P-C4' energy: -112.344 flat angles P-C4'-P energy: -77.771 tors. eta vs tors. theta energy: -138.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1430.356671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.356671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.356671 (E_RNA) where: Base-Base interactions energy: -963.630 where: short stacking energy: -455.714 Base-Backbone interact. energy: -2.089 local terms energy: -464.638399 where: bonds (distance) C4'-P energy: -82.882 bonds (distance) P-C4' energy: -89.052 flat angles C4'-P-C4' energy: -99.258 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -129.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1329.871350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.871350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.871350 (E_RNA) where: Base-Base interactions energy: -889.410 where: short stacking energy: -401.387 Base-Backbone interact. energy: -3.084 local terms energy: -437.376940 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -94.079 flat angles C4'-P-C4' energy: -106.230 flat angles P-C4'-P energy: -53.883 tors. eta vs tors. theta energy: -103.118 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: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1314.815205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.815205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.815205 (E_RNA) where: Base-Base interactions energy: -853.491 where: short stacking energy: -395.810 Base-Backbone interact. energy: 0.596 local terms energy: -461.920311 where: bonds (distance) C4'-P energy: -84.845 bonds (distance) P-C4' energy: -91.282 flat angles C4'-P-C4' energy: -98.066 flat angles P-C4'-P energy: -77.067 tors. eta vs tors. theta energy: -110.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1134.670033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.670033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.670033 (E_RNA) where: Base-Base interactions energy: -739.271 where: short stacking energy: -352.160 Base-Backbone interact. energy: -1.687 local terms energy: -393.712853 where: bonds (distance) C4'-P energy: -75.235 bonds (distance) P-C4' energy: -83.489 flat angles C4'-P-C4' energy: -84.473 flat angles P-C4'-P energy: -70.307 tors. eta vs tors. theta energy: -80.210 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: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1019.442941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.442941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.442941 (E_RNA) where: Base-Base interactions energy: -648.901 where: short stacking energy: -308.055 Base-Backbone interact. energy: 2.429 local terms energy: -372.970219 where: bonds (distance) C4'-P energy: -78.904 bonds (distance) P-C4' energy: -87.641 flat angles C4'-P-C4' energy: -91.993 flat angles P-C4'-P energy: -42.175 tors. eta vs tors. theta energy: -72.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -848.586248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.586248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.586248 (E_RNA) where: Base-Base interactions energy: -500.450 where: short stacking energy: -251.354 Base-Backbone interact. energy: -0.797 local terms energy: -347.338977 where: bonds (distance) C4'-P energy: -72.812 bonds (distance) P-C4' energy: -75.267 flat angles C4'-P-C4' energy: -87.408 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -48.651 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: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -619.047991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.047991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.047991 (E_RNA) where: Base-Base interactions energy: -285.135 where: short stacking energy: -172.507 Base-Backbone interact. energy: 0.321 local terms energy: -334.233486 where: bonds (distance) C4'-P energy: -83.238 bonds (distance) P-C4' energy: -88.518 flat angles C4'-P-C4' energy: -79.440 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -24.887 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: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -543.857596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.857596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.857596 (E_RNA) where: Base-Base interactions energy: -272.346 where: short stacking energy: -162.102 Base-Backbone interact. energy: 0.937 local terms energy: -272.447838 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -74.399 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -25.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -387.842787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.842787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.842787 (E_RNA) where: Base-Base interactions energy: -143.322 where: short stacking energy: -115.157 Base-Backbone interact. energy: -0.417 local terms energy: -244.103795 where: bonds (distance) C4'-P energy: -67.998 bonds (distance) P-C4' energy: -84.364 flat angles C4'-P-C4' energy: -70.109 flat angles P-C4'-P energy: -31.942 tors. eta vs tors. theta energy: 10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1590.033372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.033372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.033372 (E_RNA) where: Base-Base interactions energy: -1080.493 where: short stacking energy: -465.592 Base-Backbone interact. energy: -0.246 local terms energy: -509.294242 where: bonds (distance) C4'-P energy: -90.305 bonds (distance) P-C4' energy: -93.637 flat angles C4'-P-C4' energy: -114.196 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -135.132 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: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1476.974172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.974172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.974172 (E_RNA) where: Base-Base interactions energy: -962.171 where: short stacking energy: -463.542 Base-Backbone interact. energy: 3.961 local terms energy: -518.764011 where: bonds (distance) C4'-P energy: -90.989 bonds (distance) P-C4' energy: -96.463 flat angles C4'-P-C4' energy: -108.194 flat angles P-C4'-P energy: -74.209 tors. eta vs tors. theta energy: -148.908 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: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1335.041230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.041230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.041230 (E_RNA) where: Base-Base interactions energy: -893.012 where: short stacking energy: -385.789 Base-Backbone interact. energy: 0.105 local terms energy: -442.133625 where: bonds (distance) C4'-P energy: -88.954 bonds (distance) P-C4' energy: -82.220 flat angles C4'-P-C4' energy: -102.838 flat angles P-C4'-P energy: -56.924 tors. eta vs tors. theta energy: -111.196 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: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1343.489878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.489878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.489878 (E_RNA) where: Base-Base interactions energy: -882.319 where: short stacking energy: -392.320 Base-Backbone interact. energy: -0.297 local terms energy: -460.873156 where: bonds (distance) C4'-P energy: -90.338 bonds (distance) P-C4' energy: -93.371 flat angles C4'-P-C4' energy: -89.770 flat angles P-C4'-P energy: -70.916 tors. eta vs tors. theta energy: -116.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1108.724453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.724453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.724453 (E_RNA) where: Base-Base interactions energy: -701.726 where: short stacking energy: -327.891 Base-Backbone interact. energy: -1.136 local terms energy: -405.862869 where: bonds (distance) C4'-P energy: -80.675 bonds (distance) P-C4' energy: -92.549 flat angles C4'-P-C4' energy: -92.737 flat angles P-C4'-P energy: -71.150 tors. eta vs tors. theta energy: -68.751 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: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1037.325757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.325757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.325757 (E_RNA) where: Base-Base interactions energy: -648.948 where: short stacking energy: -297.320 Base-Backbone interact. energy: 1.999 local terms energy: -390.376867 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -79.633 flat angles P-C4'-P energy: -62.861 tors. eta vs tors. theta energy: -80.504 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: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -800.716300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.716300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.716300 (E_RNA) where: Base-Base interactions energy: -469.168 where: short stacking energy: -232.135 Base-Backbone interact. energy: -0.184 local terms energy: -331.364505 where: bonds (distance) C4'-P energy: -88.091 bonds (distance) P-C4' energy: -73.119 flat angles C4'-P-C4' energy: -76.988 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -34.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -635.195639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.195639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.195639 (E_RNA) where: Base-Base interactions energy: -342.436 where: short stacking energy: -178.276 Base-Backbone interact. energy: -0.701 local terms energy: -292.058690 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -72.065 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: 4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -540.826641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.826641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.826641 (E_RNA) where: Base-Base interactions energy: -232.890 where: short stacking energy: -129.522 Base-Backbone interact. energy: -1.504 local terms energy: -306.432291 where: bonds (distance) C4'-P energy: -97.877 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -61.939 flat angles P-C4'-P energy: -36.949 tors. eta vs tors. theta energy: -18.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -359.129611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.129611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.129611 (E_RNA) where: Base-Base interactions energy: -113.258 where: short stacking energy: -111.848 Base-Backbone interact. energy: 3.434 local terms energy: -249.305507 where: bonds (distance) C4'-P energy: -79.753 bonds (distance) P-C4' energy: -73.731 flat angles C4'-P-C4' energy: -67.505 flat angles P-C4'-P energy: -33.476 tors. eta vs tors. theta energy: 5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1546.918879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.918879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.918879 (E_RNA) where: Base-Base interactions energy: -1054.919 where: short stacking energy: -465.603 Base-Backbone interact. energy: -1.335 local terms energy: -490.664361 where: bonds (distance) C4'-P energy: -86.863 bonds (distance) P-C4' energy: -93.814 flat angles C4'-P-C4' energy: -107.623 flat angles P-C4'-P energy: -67.758 tors. eta vs tors. theta energy: -134.606 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: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1482.051347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.051347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.051347 (E_RNA) where: Base-Base interactions energy: -973.270 where: short stacking energy: -474.973 Base-Backbone interact. energy: -0.872 local terms energy: -507.909490 where: bonds (distance) C4'-P energy: -96.703 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -110.023 flat angles P-C4'-P energy: -73.145 tors. eta vs tors. theta energy: -141.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1342.042299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.042299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.042299 (E_RNA) where: Base-Base interactions energy: -898.171 where: short stacking energy: -383.348 Base-Backbone interact. energy: 1.186 local terms energy: -445.056910 where: bonds (distance) C4'-P energy: -90.739 bonds (distance) P-C4' energy: -100.899 flat angles C4'-P-C4' energy: -87.151 flat angles P-C4'-P energy: -56.507 tors. eta vs tors. theta energy: -109.761 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: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1278.356292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.356292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.356292 (E_RNA) where: Base-Base interactions energy: -836.225 where: short stacking energy: -397.181 Base-Backbone interact. energy: -1.272 local terms energy: -440.858767 where: bonds (distance) C4'-P energy: -92.544 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -80.783 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -111.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1091.275717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.275717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.275717 (E_RNA) where: Base-Base interactions energy: -700.932 where: short stacking energy: -313.552 Base-Backbone interact. energy: -2.296 local terms energy: -388.047796 where: bonds (distance) C4'-P energy: -80.972 bonds (distance) P-C4' energy: -88.229 flat angles C4'-P-C4' energy: -90.011 flat angles P-C4'-P energy: -62.309 tors. eta vs tors. theta energy: -66.527 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: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1031.993943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.993943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.993943 (E_RNA) where: Base-Base interactions energy: -642.725 where: short stacking energy: -302.660 Base-Backbone interact. energy: 0.080 local terms energy: -389.348758 where: bonds (distance) C4'-P energy: -71.954 bonds (distance) P-C4' energy: -80.879 flat angles C4'-P-C4' energy: -95.889 flat angles P-C4'-P energy: -60.280 tors. eta vs tors. theta energy: -80.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -818.117483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.117483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.117483 (E_RNA) where: Base-Base interactions energy: -468.256 where: short stacking energy: -235.644 Base-Backbone interact. energy: 0.279 local terms energy: -350.141422 where: bonds (distance) C4'-P energy: -82.620 bonds (distance) P-C4' energy: -74.395 flat angles C4'-P-C4' energy: -90.710 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: -46.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -654.443101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.443101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.443101 (E_RNA) where: Base-Base interactions energy: -338.758 where: short stacking energy: -190.449 Base-Backbone interact. energy: -0.248 local terms energy: -315.437393 where: bonds (distance) C4'-P energy: -81.827 bonds (distance) P-C4' energy: -81.349 flat angles C4'-P-C4' energy: -80.059 flat angles P-C4'-P energy: -51.057 tors. eta vs tors. theta energy: -21.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -530.790108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.790108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.790108 (E_RNA) where: Base-Base interactions energy: -260.219 where: short stacking energy: -164.095 Base-Backbone interact. energy: 3.565 local terms energy: -274.135835 where: bonds (distance) C4'-P energy: -68.803 bonds (distance) P-C4' energy: -81.599 flat angles C4'-P-C4' energy: -78.452 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: -7.994 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: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -382.396516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.396516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.396516 (E_RNA) where: Base-Base interactions energy: -121.575 where: short stacking energy: -113.473 Base-Backbone interact. energy: -2.285 local terms energy: -258.536159 where: bonds (distance) C4'-P energy: -73.257 bonds (distance) P-C4' energy: -84.441 flat angles C4'-P-C4' energy: -70.606 flat angles P-C4'-P energy: -37.935 tors. eta vs tors. theta energy: 7.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1571.943626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.943626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.943626 (E_RNA) where: Base-Base interactions energy: -1050.738 where: short stacking energy: -451.955 Base-Backbone interact. energy: -4.083 local terms energy: -517.123254 where: bonds (distance) C4'-P energy: -92.095 bonds (distance) P-C4' energy: -105.949 flat angles C4'-P-C4' energy: -109.031 flat angles P-C4'-P energy: -79.296 tors. eta vs tors. theta energy: -130.753 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: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1457.832718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.832718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.832718 (E_RNA) where: Base-Base interactions energy: -961.879 where: short stacking energy: -439.027 Base-Backbone interact. energy: -2.527 local terms energy: -493.426591 where: bonds (distance) C4'-P energy: -89.257 bonds (distance) P-C4' energy: -92.529 flat angles C4'-P-C4' energy: -98.527 flat angles P-C4'-P energy: -74.708 tors. eta vs tors. theta energy: -138.406 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: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1308.322715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.322715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.322715 (E_RNA) where: Base-Base interactions energy: -855.844 where: short stacking energy: -382.079 Base-Backbone interact. energy: -2.331 local terms energy: -450.147490 where: bonds (distance) C4'-P energy: -96.942 bonds (distance) P-C4' energy: -95.544 flat angles C4'-P-C4' energy: -97.778 flat angles P-C4'-P energy: -46.008 tors. eta vs tors. theta energy: -113.876 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: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1272.429767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.429767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.429767 (E_RNA) where: Base-Base interactions energy: -829.167 where: short stacking energy: -392.952 Base-Backbone interact. energy: -0.870 local terms energy: -442.393283 where: bonds (distance) C4'-P energy: -85.440 bonds (distance) P-C4' energy: -89.077 flat angles C4'-P-C4' energy: -96.500 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: -102.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1115.529574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.529574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.529574 (E_RNA) where: Base-Base interactions energy: -731.730 where: short stacking energy: -327.561 Base-Backbone interact. energy: 0.211 local terms energy: -384.010080 where: bonds (distance) C4'-P energy: -72.749 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -90.387 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: -70.633 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: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1041.575934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.575934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.575934 (E_RNA) where: Base-Base interactions energy: -631.674 where: short stacking energy: -309.885 Base-Backbone interact. energy: -2.651 local terms energy: -407.250833 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -97.678 flat angles P-C4'-P energy: -55.492 tors. eta vs tors. theta energy: -73.714 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: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -808.264507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.264507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.264507 (E_RNA) where: Base-Base interactions energy: -475.169 where: short stacking energy: -254.510 Base-Backbone interact. energy: 1.471 local terms energy: -334.565762 where: bonds (distance) C4'-P energy: -86.795 bonds (distance) P-C4' energy: -71.041 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -54.939 tors. eta vs tors. theta energy: -55.985 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: 352 Temperature: 1.250000 Total energy: -618.731094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.731094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.731094 (E_RNA) where: Base-Base interactions energy: -303.444 where: short stacking energy: -192.128 Base-Backbone interact. energy: 0.260 local terms energy: -315.546488 where: bonds (distance) C4'-P energy: -82.247 bonds (distance) P-C4' energy: -72.695 flat angles C4'-P-C4' energy: -85.020 flat angles P-C4'-P energy: -56.534 tors. eta vs tors. theta energy: -19.051 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: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -552.031871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.031871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.031871 (E_RNA) where: Base-Base interactions energy: -272.051 where: short stacking energy: -136.026 Base-Backbone interact. energy: -2.224 local terms energy: -277.756757 where: bonds (distance) C4'-P energy: -74.299 bonds (distance) P-C4' energy: -70.308 flat angles C4'-P-C4' energy: -78.986 flat angles P-C4'-P energy: -49.612 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -424.856383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.856383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.856383 (E_RNA) where: Base-Base interactions energy: -157.612 where: short stacking energy: -128.069 Base-Backbone interact. energy: 0.357 local terms energy: -267.601584 where: bonds (distance) C4'-P energy: -88.396 bonds (distance) P-C4' energy: -81.530 flat angles C4'-P-C4' energy: -65.189 flat angles P-C4'-P energy: -36.591 tors. eta vs tors. theta energy: 4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1538.859658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.859658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.859658 (E_RNA) where: Base-Base interactions energy: -1053.498 where: short stacking energy: -440.141 Base-Backbone interact. energy: -1.795 local terms energy: -483.566345 where: bonds (distance) C4'-P energy: -100.162 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -102.874 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -126.622 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: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1474.353767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.353767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.353767 (E_RNA) where: Base-Base interactions energy: -958.035 where: short stacking energy: -436.003 Base-Backbone interact. energy: -3.796 local terms energy: -512.522694 where: bonds (distance) C4'-P energy: -98.452 bonds (distance) P-C4' energy: -85.757 flat angles C4'-P-C4' energy: -111.460 flat angles P-C4'-P energy: -73.582 tors. eta vs tors. theta energy: -143.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1304.371748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.371748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.371748 (E_RNA) where: Base-Base interactions energy: -848.885 where: short stacking energy: -393.847 Base-Backbone interact. energy: 0.842 local terms energy: -456.329203 where: bonds (distance) C4'-P energy: -89.071 bonds (distance) P-C4' energy: -101.996 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -110.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1291.999838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.999838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.999838 (E_RNA) where: Base-Base interactions energy: -833.336 where: short stacking energy: -389.867 Base-Backbone interact. energy: 1.472 local terms energy: -460.135988 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -100.095 flat angles C4'-P-C4' energy: -91.781 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -121.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1199.561866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.561866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.561866 (E_RNA) where: Base-Base interactions energy: -768.801 where: short stacking energy: -354.685 Base-Backbone interact. energy: -2.294 local terms energy: -428.466793 where: bonds (distance) C4'-P energy: -84.772 bonds (distance) P-C4' energy: -85.702 flat angles C4'-P-C4' energy: -107.641 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -92.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1017.165635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.165635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.165635 (E_RNA) where: Base-Base interactions energy: -639.276 where: short stacking energy: -287.745 Base-Backbone interact. energy: 0.735 local terms energy: -378.624771 where: bonds (distance) C4'-P energy: -84.123 bonds (distance) P-C4' energy: -83.922 flat angles C4'-P-C4' energy: -93.451 flat angles P-C4'-P energy: -53.088 tors. eta vs tors. theta energy: -64.041 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: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -803.842745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.842745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.842745 (E_RNA) where: Base-Base interactions energy: -468.747 where: short stacking energy: -253.659 Base-Backbone interact. energy: 3.721 local terms energy: -338.816361 where: bonds (distance) C4'-P energy: -93.919 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -71.309 flat angles P-C4'-P energy: -44.052 tors. eta vs tors. theta energy: -40.827 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -618.036156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.036156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.036156 (E_RNA) where: Base-Base interactions energy: -318.799 where: short stacking energy: -179.249 Base-Backbone interact. energy: -1.173 local terms energy: -298.064316 where: bonds (distance) C4'-P energy: -85.718 bonds (distance) P-C4' energy: -80.497 flat angles C4'-P-C4' energy: -78.716 flat angles P-C4'-P energy: -57.071 tors. eta vs tors. theta energy: 3.937 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: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -614.045829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.045829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.045829 (E_RNA) where: Base-Base interactions energy: -332.162 where: short stacking energy: -170.052 Base-Backbone interact. energy: 0.178 local terms energy: -282.062225 where: bonds (distance) C4'-P energy: -67.741 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -64.020 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -383.844638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.844638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.844638 (E_RNA) where: Base-Base interactions energy: -138.658 where: short stacking energy: -114.275 Base-Backbone interact. energy: 0.399 local terms energy: -245.585391 where: bonds (distance) C4'-P energy: -79.561 bonds (distance) P-C4' energy: -84.987 flat angles C4'-P-C4' energy: -70.307 flat angles P-C4'-P energy: -18.098 tors. eta vs tors. theta energy: 7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1514.905266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.905266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.905266 (E_RNA) where: Base-Base interactions energy: -1013.714 where: short stacking energy: -456.583 Base-Backbone interact. energy: -2.050 local terms energy: -499.141756 where: bonds (distance) C4'-P energy: -94.029 bonds (distance) P-C4' energy: -94.981 flat angles C4'-P-C4' energy: -104.798 flat angles P-C4'-P energy: -75.520 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: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1463.533462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.533462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.533462 (E_RNA) where: Base-Base interactions energy: -961.111 where: short stacking energy: -444.110 Base-Backbone interact. energy: 2.102 local terms energy: -504.525036 where: bonds (distance) C4'-P energy: -88.441 bonds (distance) P-C4' energy: -98.156 flat angles C4'-P-C4' energy: -105.488 flat angles P-C4'-P energy: -72.060 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: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1339.291055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.291055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.291055 (E_RNA) where: Base-Base interactions energy: -855.673 where: short stacking energy: -407.706 Base-Backbone interact. energy: -1.307 local terms energy: -482.311181 where: bonds (distance) C4'-P energy: -94.167 bonds (distance) P-C4' energy: -87.094 flat angles C4'-P-C4' energy: -96.987 flat angles P-C4'-P energy: -79.085 tors. eta vs tors. theta energy: -124.979 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1355.155617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.155617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.155617 (E_RNA) where: Base-Base interactions energy: -888.818 where: short stacking energy: -394.775 Base-Backbone interact. energy: -1.796 local terms energy: -464.541861 where: bonds (distance) C4'-P energy: -92.473 bonds (distance) P-C4' energy: -98.174 flat angles C4'-P-C4' energy: -104.420 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -110.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1151.633031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.633031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.633031 (E_RNA) where: Base-Base interactions energy: -757.019 where: short stacking energy: -344.387 Base-Backbone interact. energy: -0.821 local terms energy: -393.793808 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -90.829 flat angles C4'-P-C4' energy: -89.713 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -95.299 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: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1094.044439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.044439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.044439 (E_RNA) where: Base-Base interactions energy: -688.624 where: short stacking energy: -328.412 Base-Backbone interact. energy: -1.817 local terms energy: -403.602906 where: bonds (distance) C4'-P energy: -91.559 bonds (distance) P-C4' energy: -83.544 flat angles C4'-P-C4' energy: -81.409 flat angles P-C4'-P energy: -57.012 tors. eta vs tors. theta energy: -90.080 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: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -777.714939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.714939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.714939 (E_RNA) where: Base-Base interactions energy: -427.853 where: short stacking energy: -233.934 Base-Backbone interact. energy: -1.921 local terms energy: -347.941528 where: bonds (distance) C4'-P energy: -83.065 bonds (distance) P-C4' energy: -82.465 flat angles C4'-P-C4' energy: -96.790 flat angles P-C4'-P energy: -45.405 tors. eta vs tors. theta energy: -40.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -603.135756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.135756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.135756 (E_RNA) where: Base-Base interactions energy: -314.552 where: short stacking energy: -180.749 Base-Backbone interact. energy: -1.684 local terms energy: -286.899837 where: bonds (distance) C4'-P energy: -84.767 bonds (distance) P-C4' energy: -90.431 flat angles C4'-P-C4' energy: -64.278 flat angles P-C4'-P energy: -37.859 tors. eta vs tors. theta energy: -9.566 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: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -609.816314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.816314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.816314 (E_RNA) where: Base-Base interactions energy: -315.565 where: short stacking energy: -179.373 Base-Backbone interact. energy: 1.117 local terms energy: -295.368896 where: bonds (distance) C4'-P energy: -76.694 bonds (distance) P-C4' energy: -79.474 flat angles C4'-P-C4' energy: -75.043 flat angles P-C4'-P energy: -37.541 tors. eta vs tors. theta energy: -26.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -363.105838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.105838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.105838 (E_RNA) where: Base-Base interactions energy: -132.857 where: short stacking energy: -113.027 Base-Backbone interact. energy: 1.824 local terms energy: -232.072852 where: bonds (distance) C4'-P energy: -67.968 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -36.079 tors. eta vs tors. theta energy: 19.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1542.984192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.984192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.984192 (E_RNA) where: Base-Base interactions energy: -1031.200 where: short stacking energy: -475.059 Base-Backbone interact. energy: -2.794 local terms energy: -508.990439 where: bonds (distance) C4'-P energy: -96.561 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -109.211 flat angles P-C4'-P energy: -70.412 tors. eta vs tors. theta energy: -136.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1478.242523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.242523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.242523 (E_RNA) where: Base-Base interactions energy: -969.704 where: short stacking energy: -445.024 Base-Backbone interact. energy: 0.348 local terms energy: -508.887307 where: bonds (distance) C4'-P energy: -102.286 bonds (distance) P-C4' energy: -94.994 flat angles C4'-P-C4' energy: -103.445 flat angles P-C4'-P energy: -73.467 tors. eta vs tors. theta energy: -134.695 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: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1362.512489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.512489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.512489 (E_RNA) where: Base-Base interactions energy: -881.949 where: short stacking energy: -440.756 Base-Backbone interact. energy: -0.884 local terms energy: -479.679243 where: bonds (distance) C4'-P energy: -81.615 bonds (distance) P-C4' energy: -100.121 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -63.790 tors. eta vs tors. theta energy: -136.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1291.491955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.491955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.491955 (E_RNA) where: Base-Base interactions energy: -840.632 where: short stacking energy: -381.787 Base-Backbone interact. energy: -0.891 local terms energy: -449.968937 where: bonds (distance) C4'-P energy: -86.724 bonds (distance) P-C4' energy: -96.194 flat angles C4'-P-C4' energy: -96.640 flat angles P-C4'-P energy: -64.845 tors. eta vs tors. theta energy: -105.564 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: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1121.076911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.076911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.076911 (E_RNA) where: Base-Base interactions energy: -721.642 where: short stacking energy: -339.043 Base-Backbone interact. energy: -0.885 local terms energy: -398.550145 where: bonds (distance) C4'-P energy: -77.003 bonds (distance) P-C4' energy: -93.086 flat angles C4'-P-C4' energy: -89.997 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -78.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1125.274708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.274708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.274708 (E_RNA) where: Base-Base interactions energy: -719.136 where: short stacking energy: -346.434 Base-Backbone interact. energy: -2.785 local terms energy: -403.353661 where: bonds (distance) C4'-P energy: -87.109 bonds (distance) P-C4' energy: -83.176 flat angles C4'-P-C4' energy: -98.497 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -87.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -777.973498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.973498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.973498 (E_RNA) where: Base-Base interactions energy: -449.748 where: short stacking energy: -258.298 Base-Backbone interact. energy: -0.043 local terms energy: -328.182478 where: bonds (distance) C4'-P energy: -76.048 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -71.627 flat angles P-C4'-P energy: -38.779 tors. eta vs tors. theta energy: -52.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -651.408882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.408882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.408882 (E_RNA) where: Base-Base interactions energy: -330.831 where: short stacking energy: -185.862 Base-Backbone interact. energy: 0.200 local terms energy: -320.778180 where: bonds (distance) C4'-P energy: -88.818 bonds (distance) P-C4' energy: -80.940 flat angles C4'-P-C4' energy: -82.193 flat angles P-C4'-P energy: -47.442 tors. eta vs tors. theta energy: -21.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -568.177149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.177149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.177149 (E_RNA) where: Base-Base interactions energy: -279.936 where: short stacking energy: -147.040 Base-Backbone interact. energy: -1.069 local terms energy: -287.172400 where: bonds (distance) C4'-P energy: -86.550 bonds (distance) P-C4' energy: -84.051 flat angles C4'-P-C4' energy: -71.993 flat angles P-C4'-P energy: -31.406 tors. eta vs tors. theta energy: -13.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -365.998478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.998478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.998478 (E_RNA) where: Base-Base interactions energy: -127.557 where: short stacking energy: -101.868 Base-Backbone interact. energy: -1.398 local terms energy: -237.043557 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -63.625 flat angles P-C4'-P energy: -40.031 tors. eta vs tors. theta energy: 21.535 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: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1543.959947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.959947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.959947 (E_RNA) where: Base-Base interactions energy: -1043.569 where: short stacking energy: -479.065 Base-Backbone interact. energy: -3.123 local terms energy: -497.267294 where: bonds (distance) C4'-P energy: -94.401 bonds (distance) P-C4' energy: -100.875 flat angles C4'-P-C4' energy: -105.739 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -132.513 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: 356 Temperature: 0.950000 Total energy: -1462.387091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.387091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.387091 (E_RNA) where: Base-Base interactions energy: -972.460 where: short stacking energy: -450.041 Base-Backbone interact. energy: -1.503 local terms energy: -488.423328 where: bonds (distance) C4'-P energy: -83.371 bonds (distance) P-C4' energy: -93.667 flat angles C4'-P-C4' energy: -99.360 flat angles P-C4'-P energy: -68.877 tors. eta vs tors. theta energy: -143.147 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: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1321.184787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.184787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.184787 (E_RNA) where: Base-Base interactions energy: -862.737 where: short stacking energy: -403.679 Base-Backbone interact. energy: 0.711 local terms energy: -459.157957 where: bonds (distance) C4'-P energy: -88.765 bonds (distance) P-C4' energy: -95.684 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -54.377 tors. eta vs tors. theta energy: -113.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1321.729554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.729554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.729554 (E_RNA) where: Base-Base interactions energy: -873.573 where: short stacking energy: -375.957 Base-Backbone interact. energy: -2.092 local terms energy: -446.064758 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -92.526 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -62.441 tors. eta vs tors. theta energy: -99.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1130.741737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.741737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.741737 (E_RNA) where: Base-Base interactions energy: -728.752 where: short stacking energy: -370.258 Base-Backbone interact. energy: -1.041 local terms energy: -400.948511 where: bonds (distance) C4'-P energy: -83.516 bonds (distance) P-C4' energy: -83.753 flat angles C4'-P-C4' energy: -86.999 flat angles P-C4'-P energy: -58.470 tors. eta vs tors. theta energy: -88.210 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: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1099.702700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.702700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.702700 (E_RNA) where: Base-Base interactions energy: -685.752 where: short stacking energy: -346.000 Base-Backbone interact. energy: -1.841 local terms energy: -412.109036 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -82.184 flat angles C4'-P-C4' energy: -96.882 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -93.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -780.821365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.821365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.821365 (E_RNA) where: Base-Base interactions energy: -434.182 where: short stacking energy: -215.665 Base-Backbone interact. energy: -1.493 local terms energy: -345.146351 where: bonds (distance) C4'-P energy: -80.507 bonds (distance) P-C4' energy: -102.397 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -31.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -675.550121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.550121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.550121 (E_RNA) where: Base-Base interactions energy: -351.988 where: short stacking energy: -196.324 Base-Backbone interact. energy: 0.699 local terms energy: -324.260911 where: bonds (distance) C4'-P energy: -76.852 bonds (distance) P-C4' energy: -78.336 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -54.654 tors. eta vs tors. theta energy: -32.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -547.230665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.230665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.230665 (E_RNA) where: Base-Base interactions energy: -237.500 where: short stacking energy: -151.760 Base-Backbone interact. energy: -3.642 local terms energy: -306.089178 where: bonds (distance) C4'-P energy: -86.794 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -82.680 flat angles P-C4'-P energy: -36.083 tors. eta vs tors. theta energy: -1.915 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: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -367.667993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.667993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.667993 (E_RNA) where: Base-Base interactions energy: -134.237 where: short stacking energy: -108.981 Base-Backbone interact. energy: -0.637 local terms energy: -232.794197 where: bonds (distance) C4'-P energy: -63.686 bonds (distance) P-C4' energy: -79.225 flat angles C4'-P-C4' energy: -63.824 flat angles P-C4'-P energy: -40.240 tors. eta vs tors. theta energy: 14.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1570.949244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.949244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.949244 (E_RNA) where: Base-Base interactions energy: -1066.575 where: short stacking energy: -466.679 Base-Backbone interact. energy: -3.542 local terms energy: -500.831827 where: bonds (distance) C4'-P energy: -86.831 bonds (distance) P-C4' energy: -106.662 flat angles C4'-P-C4' energy: -105.535 flat angles P-C4'-P energy: -72.325 tors. eta vs tors. theta energy: -129.479 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: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1449.008221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.008221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.008221 (E_RNA) where: Base-Base interactions energy: -932.419 where: short stacking energy: -446.304 Base-Backbone interact. energy: -1.179 local terms energy: -515.409734 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -98.183 flat angles C4'-P-C4' energy: -106.464 flat angles P-C4'-P energy: -68.686 tors. eta vs tors. theta energy: -144.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1366.413171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.413171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.413171 (E_RNA) where: Base-Base interactions energy: -889.602 where: short stacking energy: -419.624 Base-Backbone interact. energy: -0.780 local terms energy: -476.030998 where: bonds (distance) C4'-P energy: -101.921 bonds (distance) P-C4' energy: -94.000 flat angles C4'-P-C4' energy: -86.865 flat angles P-C4'-P energy: -65.447 tors. eta vs tors. theta energy: -127.797 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: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1287.233300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.233300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.233300 (E_RNA) where: Base-Base interactions energy: -843.214 where: short stacking energy: -344.945 Base-Backbone interact. energy: 0.454 local terms energy: -444.473342 where: bonds (distance) C4'-P energy: -89.194 bonds (distance) P-C4' energy: -96.563 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -99.512 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: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1120.275227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.275227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.275227 (E_RNA) where: Base-Base interactions energy: -705.536 where: short stacking energy: -340.866 Base-Backbone interact. energy: -0.877 local terms energy: -413.861328 where: bonds (distance) C4'-P energy: -92.124 bonds (distance) P-C4' energy: -88.751 flat angles C4'-P-C4' energy: -99.085 flat angles P-C4'-P energy: -46.125 tors. eta vs tors. theta energy: -87.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1123.553845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.553845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.553845 (E_RNA) where: Base-Base interactions energy: -692.898 where: short stacking energy: -323.586 Base-Backbone interact. energy: -2.579 local terms energy: -428.076532 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -84.243 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -88.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -788.244170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.244170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.244170 (E_RNA) where: Base-Base interactions energy: -440.136 where: short stacking energy: -239.051 Base-Backbone interact. energy: 2.046 local terms energy: -350.153851 where: bonds (distance) C4'-P energy: -95.642 bonds (distance) P-C4' energy: -93.923 flat angles C4'-P-C4' energy: -76.263 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -41.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -647.327996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.327996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.327996 (E_RNA) where: Base-Base interactions energy: -358.657 where: short stacking energy: -197.497 Base-Backbone interact. energy: 0.341 local terms energy: -289.011970 where: bonds (distance) C4'-P energy: -87.025 bonds (distance) P-C4' energy: -72.344 flat angles C4'-P-C4' energy: -74.212 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -22.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -530.471440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.471440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.471440 (E_RNA) where: Base-Base interactions energy: -256.178 where: short stacking energy: -159.017 Base-Backbone interact. energy: -0.679 local terms energy: -273.614032 where: bonds (distance) C4'-P energy: -76.306 bonds (distance) P-C4' energy: -83.059 flat angles C4'-P-C4' energy: -74.535 flat angles P-C4'-P energy: -40.661 tors. eta vs tors. theta energy: 0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -370.323140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.323140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.323140 (E_RNA) where: Base-Base interactions energy: -123.897 where: short stacking energy: -90.020 Base-Backbone interact. energy: -1.431 local terms energy: -244.995129 where: bonds (distance) C4'-P energy: -71.596 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -73.210 flat angles P-C4'-P energy: -32.935 tors. eta vs tors. theta energy: 23.005 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: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1572.211985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.211985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.211985 (E_RNA) where: Base-Base interactions energy: -1068.125 where: short stacking energy: -444.729 Base-Backbone interact. energy: -4.085 local terms energy: -500.002085 where: bonds (distance) C4'-P energy: -88.647 bonds (distance) P-C4' energy: -107.449 flat angles C4'-P-C4' energy: -101.242 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -137.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1458.413876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.413876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.413876 (E_RNA) where: Base-Base interactions energy: -950.758 where: short stacking energy: -445.815 Base-Backbone interact. energy: -1.873 local terms energy: -505.782214 where: bonds (distance) C4'-P energy: -92.092 bonds (distance) P-C4' energy: -98.763 flat angles C4'-P-C4' energy: -104.983 flat angles P-C4'-P energy: -64.336 tors. eta vs tors. theta energy: -145.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1311.669507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.669507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.669507 (E_RNA) where: Base-Base interactions energy: -860.418 where: short stacking energy: -382.397 Base-Backbone interact. energy: 0.612 local terms energy: -451.863030 where: bonds (distance) C4'-P energy: -91.745 bonds (distance) P-C4' energy: -96.799 flat angles C4'-P-C4' energy: -94.360 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -100.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1326.579181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.579181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.579181 (E_RNA) where: Base-Base interactions energy: -865.031 where: short stacking energy: -387.189 Base-Backbone interact. energy: -1.163 local terms energy: -460.384976 where: bonds (distance) C4'-P energy: -79.244 bonds (distance) P-C4' energy: -100.004 flat angles C4'-P-C4' energy: -94.746 flat angles P-C4'-P energy: -69.211 tors. eta vs tors. theta energy: -117.180 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: 358 Temperature: 1.100000 Total energy: -1227.620663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.620663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.620663 (E_RNA) where: Base-Base interactions energy: -788.141 where: short stacking energy: -357.146 Base-Backbone interact. energy: -1.849 local terms energy: -437.631227 where: bonds (distance) C4'-P energy: -89.926 bonds (distance) P-C4' energy: -81.993 flat angles C4'-P-C4' energy: -97.616 flat angles P-C4'-P energy: -62.697 tors. eta vs tors. theta energy: -105.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1061.516826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.516826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.516826 (E_RNA) where: Base-Base interactions energy: -673.077 where: short stacking energy: -307.852 Base-Backbone interact. energy: -0.845 local terms energy: -387.594973 where: bonds (distance) C4'-P energy: -76.215 bonds (distance) P-C4' energy: -76.859 flat angles C4'-P-C4' energy: -95.262 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -80.678 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: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -805.802624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.802624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.802624 (E_RNA) where: Base-Base interactions energy: -446.769 where: short stacking energy: -226.483 Base-Backbone interact. energy: 2.429 local terms energy: -361.463445 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -84.579 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -47.472 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: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -722.052860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.052860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.052860 (E_RNA) where: Base-Base interactions energy: -390.939 where: short stacking energy: -200.344 Base-Backbone interact. energy: -0.982 local terms energy: -330.131648 where: bonds (distance) C4'-P energy: -77.510 bonds (distance) P-C4' energy: -87.574 flat angles C4'-P-C4' energy: -85.167 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -29.515 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: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -523.751599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.751599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.751599 (E_RNA) where: Base-Base interactions energy: -250.462 where: short stacking energy: -151.148 Base-Backbone interact. energy: -0.670 local terms energy: -272.619410 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -90.727 flat angles C4'-P-C4' energy: -68.856 flat angles P-C4'-P energy: -36.948 tors. eta vs tors. theta energy: -13.650 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: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -378.333947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.333947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.333947 (E_RNA) where: Base-Base interactions energy: -126.366 where: short stacking energy: -97.261 Base-Backbone interact. energy: 1.247 local terms energy: -253.215189 where: bonds (distance) C4'-P energy: -61.488 bonds (distance) P-C4' energy: -76.761 flat angles C4'-P-C4' energy: -76.459 flat angles P-C4'-P energy: -34.584 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1539.998468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.998468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.998468 (E_RNA) where: Base-Base interactions energy: -1031.121 where: short stacking energy: -466.846 Base-Backbone interact. energy: -4.408 local terms energy: -504.469494 where: bonds (distance) C4'-P energy: -94.085 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -104.764 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -138.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1445.112178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.112178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.112178 (E_RNA) where: Base-Base interactions energy: -949.110 where: short stacking energy: -453.185 Base-Backbone interact. energy: -1.328 local terms energy: -494.674900 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -94.465 flat angles C4'-P-C4' energy: -97.513 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -142.712 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: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1289.059043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.059043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.059043 (E_RNA) where: Base-Base interactions energy: -854.816 where: short stacking energy: -399.916 Base-Backbone interact. energy: -1.261 local terms energy: -432.981622 where: bonds (distance) C4'-P energy: -92.058 bonds (distance) P-C4' energy: -89.028 flat angles C4'-P-C4' energy: -91.735 flat angles P-C4'-P energy: -49.894 tors. eta vs tors. theta energy: -110.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1285.944730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.944730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.944730 (E_RNA) where: Base-Base interactions energy: -847.015 where: short stacking energy: -365.769 Base-Backbone interact. energy: -2.087 local terms energy: -436.842461 where: bonds (distance) C4'-P energy: -89.763 bonds (distance) P-C4' energy: -85.832 flat angles C4'-P-C4' energy: -93.611 flat angles P-C4'-P energy: -66.448 tors. eta vs tors. theta energy: -101.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1194.877015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.877015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.877015 (E_RNA) where: Base-Base interactions energy: -778.648 where: short stacking energy: -367.443 Base-Backbone interact. energy: -1.730 local terms energy: -414.498395 where: bonds (distance) C4'-P energy: -81.715 bonds (distance) P-C4' energy: -96.442 flat angles C4'-P-C4' energy: -81.346 flat angles P-C4'-P energy: -57.919 tors. eta vs tors. theta energy: -97.075 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: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1068.498548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.498548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.498548 (E_RNA) where: Base-Base interactions energy: -694.406 where: short stacking energy: -307.283 Base-Backbone interact. energy: -2.454 local terms energy: -371.638409 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -79.046 flat angles P-C4'-P energy: -57.106 tors. eta vs tors. theta energy: -74.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -825.203130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.203130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.203130 (E_RNA) where: Base-Base interactions energy: -478.160 where: short stacking energy: -242.527 Base-Backbone interact. energy: -1.348 local terms energy: -345.695074 where: bonds (distance) C4'-P energy: -80.195 bonds (distance) P-C4' energy: -88.201 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -51.615 tors. eta vs tors. theta energy: -43.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -714.158852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.158852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.158852 (E_RNA) where: Base-Base interactions energy: -415.940 where: short stacking energy: -187.919 Base-Backbone interact. energy: -2.768 local terms energy: -295.450858 where: bonds (distance) C4'-P energy: -72.570 bonds (distance) P-C4' energy: -88.272 flat angles C4'-P-C4' energy: -93.240 flat angles P-C4'-P energy: -33.125 tors. eta vs tors. theta energy: -8.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -601.324275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.324275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.324275 (E_RNA) where: Base-Base interactions energy: -307.000 where: short stacking energy: -161.906 Base-Backbone interact. energy: 7.279 local terms energy: -301.603243 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -80.427 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -59.017 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -365.029829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.029829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.029829 (E_RNA) where: Base-Base interactions energy: -124.382 where: short stacking energy: -102.881 Base-Backbone interact. energy: 1.829 local terms energy: -242.476835 where: bonds (distance) C4'-P energy: -73.373 bonds (distance) P-C4' energy: -80.186 flat angles C4'-P-C4' energy: -53.383 flat angles P-C4'-P energy: -50.838 tors. eta vs tors. theta energy: 15.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1553.230404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.230404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.230404 (E_RNA) where: Base-Base interactions energy: -1050.368 where: short stacking energy: -475.951 Base-Backbone interact. energy: 0.449 local terms energy: -503.310719 where: bonds (distance) C4'-P energy: -100.269 bonds (distance) P-C4' energy: -90.376 flat angles C4'-P-C4' energy: -108.357 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -139.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1439.729639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.729639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.729639 (E_RNA) where: Base-Base interactions energy: -948.087 where: short stacking energy: -430.445 Base-Backbone interact. energy: 0.197 local terms energy: -491.839526 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -93.733 flat angles C4'-P-C4' energy: -101.664 flat angles P-C4'-P energy: -70.486 tors. eta vs tors. theta energy: -132.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1316.443610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.443610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.443610 (E_RNA) where: Base-Base interactions energy: -847.069 where: short stacking energy: -397.792 Base-Backbone interact. energy: 0.594 local terms energy: -469.968119 where: bonds (distance) C4'-P energy: -89.447 bonds (distance) P-C4' energy: -103.753 flat angles C4'-P-C4' energy: -105.004 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -115.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1265.278268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.278268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.278268 (E_RNA) where: Base-Base interactions energy: -830.164 where: short stacking energy: -340.677 Base-Backbone interact. energy: -0.484 local terms energy: -434.629618 where: bonds (distance) C4'-P energy: -88.084 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -98.726 flat angles P-C4'-P energy: -61.610 tors. eta vs tors. theta energy: -90.066 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: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1139.141734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.141734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.141734 (E_RNA) where: Base-Base interactions energy: -760.783 where: short stacking energy: -330.684 Base-Backbone interact. energy: 7.083 local terms energy: -385.442014 where: bonds (distance) C4'-P energy: -82.086 bonds (distance) P-C4' energy: -86.758 flat angles C4'-P-C4' energy: -86.529 flat angles P-C4'-P energy: -53.026 tors. eta vs tors. theta energy: -77.043 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: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1094.045493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.045493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.045493 (E_RNA) where: Base-Base interactions energy: -683.980 where: short stacking energy: -318.700 Base-Backbone interact. energy: -0.185 local terms energy: -409.880648 where: bonds (distance) C4'-P energy: -89.711 bonds (distance) P-C4' energy: -93.875 flat angles C4'-P-C4' energy: -92.151 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -91.190 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: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -772.926637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.926637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.926637 (E_RNA) where: Base-Base interactions energy: -433.897 where: short stacking energy: -226.892 Base-Backbone interact. energy: 0.793 local terms energy: -339.822336 where: bonds (distance) C4'-P energy: -91.682 bonds (distance) P-C4' energy: -78.828 flat angles C4'-P-C4' energy: -87.750 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -32.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -650.146443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.146443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.146443 (E_RNA) where: Base-Base interactions energy: -336.259 where: short stacking energy: -182.921 Base-Backbone interact. energy: -0.857 local terms energy: -313.030327 where: bonds (distance) C4'-P energy: -81.729 bonds (distance) P-C4' energy: -82.999 flat angles C4'-P-C4' energy: -91.479 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -13.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -663.606016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.606016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.606016 (E_RNA) where: Base-Base interactions energy: -400.332 where: short stacking energy: -199.094 Base-Backbone interact. energy: -2.880 local terms energy: -260.393991 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -79.816 flat angles C4'-P-C4' energy: -68.002 flat angles P-C4'-P energy: -26.865 tors. eta vs tors. theta energy: -20.561 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -386.777163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.777163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.777163 (E_RNA) where: Base-Base interactions energy: -134.820 where: short stacking energy: -106.450 Base-Backbone interact. energy: 0.478 local terms energy: -252.434729 where: bonds (distance) C4'-P energy: -66.579 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -77.827 flat angles P-C4'-P energy: -47.756 tors. eta vs tors. theta energy: 16.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1543.405894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.405894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.405894 (E_RNA) where: Base-Base interactions energy: -1021.170 where: short stacking energy: -431.634 Base-Backbone interact. energy: -5.127 local terms energy: -517.109239 where: bonds (distance) C4'-P energy: -92.681 bonds (distance) P-C4' energy: -109.044 flat angles C4'-P-C4' energy: -112.747 flat angles P-C4'-P energy: -72.266 tors. eta vs tors. theta energy: -130.371 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: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1429.544908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.544908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.544908 (E_RNA) where: Base-Base interactions energy: -980.044 where: short stacking energy: -439.377 Base-Backbone interact. energy: 0.073 local terms energy: -449.573418 where: bonds (distance) C4'-P energy: -84.189 bonds (distance) P-C4' energy: -85.388 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -65.021 tors. eta vs tors. theta energy: -126.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1333.419202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.419202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.419202 (E_RNA) where: Base-Base interactions energy: -856.171 where: short stacking energy: -402.862 Base-Backbone interact. energy: -0.736 local terms energy: -476.512104 where: bonds (distance) C4'-P energy: -86.278 bonds (distance) P-C4' energy: -100.600 flat angles C4'-P-C4' energy: -104.438 flat angles P-C4'-P energy: -69.476 tors. eta vs tors. theta energy: -115.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1255.077637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.077637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.077637 (E_RNA) where: Base-Base interactions energy: -824.775 where: short stacking energy: -356.743 Base-Backbone interact. energy: 0.177 local terms energy: -430.478863 where: bonds (distance) C4'-P energy: -85.910 bonds (distance) P-C4' energy: -85.816 flat angles C4'-P-C4' energy: -93.642 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -99.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1153.349051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.349051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.349051 (E_RNA) where: Base-Base interactions energy: -740.449 where: short stacking energy: -337.088 Base-Backbone interact. energy: -2.414 local terms energy: -410.485879 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -91.063 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -84.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1041.657987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.657987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.657987 (E_RNA) where: Base-Base interactions energy: -676.633 where: short stacking energy: -286.668 Base-Backbone interact. energy: 1.859 local terms energy: -366.884656 where: bonds (distance) C4'-P energy: -76.098 bonds (distance) P-C4' energy: -90.288 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -62.987 tors. eta vs tors. theta energy: -51.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -811.928624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.928624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.928624 (E_RNA) where: Base-Base interactions energy: -466.369 where: short stacking energy: -242.064 Base-Backbone interact. energy: 0.805 local terms energy: -346.364866 where: bonds (distance) C4'-P energy: -78.680 bonds (distance) P-C4' energy: -93.853 flat angles C4'-P-C4' energy: -73.532 flat angles P-C4'-P energy: -47.032 tors. eta vs tors. theta energy: -53.269 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: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -679.421482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.421482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.421482 (E_RNA) where: Base-Base interactions energy: -345.687 where: short stacking energy: -187.886 Base-Backbone interact. energy: 1.412 local terms energy: -335.146736 where: bonds (distance) C4'-P energy: -81.794 bonds (distance) P-C4' energy: -98.480 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: -27.842 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: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -643.197752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.197752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.197752 (E_RNA) where: Base-Base interactions energy: -350.899 where: short stacking energy: -194.341 Base-Backbone interact. energy: -0.184 local terms energy: -292.114796 where: bonds (distance) C4'-P energy: -75.445 bonds (distance) P-C4' energy: -80.496 flat angles C4'-P-C4' energy: -74.132 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -18.247 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: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -377.279894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.279894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.279894 (E_RNA) where: Base-Base interactions energy: -116.373 where: short stacking energy: -98.520 Base-Backbone interact. energy: 0.462 local terms energy: -261.368770 where: bonds (distance) C4'-P energy: -73.496 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -63.484 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: 11.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1538.547635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.547635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.547635 (E_RNA) where: Base-Base interactions energy: -1041.566 where: short stacking energy: -446.272 Base-Backbone interact. energy: -4.520 local terms energy: -492.462238 where: bonds (distance) C4'-P energy: -97.915 bonds (distance) P-C4' energy: -102.486 flat angles C4'-P-C4' energy: -98.831 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -132.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1470.761447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.761447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.761447 (E_RNA) where: Base-Base interactions energy: -985.202 where: short stacking energy: -458.017 Base-Backbone interact. energy: 0.420 local terms energy: -485.978894 where: bonds (distance) C4'-P energy: -92.402 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -99.033 flat angles P-C4'-P energy: -74.491 tors. eta vs tors. theta energy: -133.294 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: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1330.127169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.127169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.127169 (E_RNA) where: Base-Base interactions energy: -871.334 where: short stacking energy: -400.496 Base-Backbone interact. energy: -1.055 local terms energy: -457.738002 where: bonds (distance) C4'-P energy: -84.066 bonds (distance) P-C4' energy: -86.976 flat angles C4'-P-C4' energy: -108.698 flat angles P-C4'-P energy: -60.537 tors. eta vs tors. theta energy: -117.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1276.608757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.608757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.608757 (E_RNA) where: Base-Base interactions energy: -840.532 where: short stacking energy: -371.973 Base-Backbone interact. energy: 1.463 local terms energy: -437.539906 where: bonds (distance) C4'-P energy: -95.541 bonds (distance) P-C4' energy: -87.957 flat angles C4'-P-C4' energy: -91.917 flat angles P-C4'-P energy: -57.063 tors. eta vs tors. theta energy: -105.062 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: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1173.115270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.115270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.115270 (E_RNA) where: Base-Base interactions energy: -750.135 where: short stacking energy: -331.381 Base-Backbone interact. energy: -2.705 local terms energy: -420.275653 where: bonds (distance) C4'-P energy: -84.056 bonds (distance) P-C4' energy: -92.552 flat angles C4'-P-C4' energy: -87.909 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -88.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1032.012287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.012287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.012287 (E_RNA) where: Base-Base interactions energy: -667.276 where: short stacking energy: -261.630 Base-Backbone interact. energy: -0.204 local terms energy: -364.532880 where: bonds (distance) C4'-P energy: -70.363 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -95.926 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -60.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -863.387236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.387236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.387236 (E_RNA) where: Base-Base interactions energy: -496.894 where: short stacking energy: -238.391 Base-Backbone interact. energy: 0.673 local terms energy: -367.165960 where: bonds (distance) C4'-P energy: -87.860 bonds (distance) P-C4' energy: -78.431 flat angles C4'-P-C4' energy: -92.754 flat angles P-C4'-P energy: -58.191 tors. eta vs tors. theta energy: -49.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -674.112537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.112537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.112537 (E_RNA) where: Base-Base interactions energy: -392.094 where: short stacking energy: -180.825 Base-Backbone interact. energy: -1.367 local terms energy: -280.651226 where: bonds (distance) C4'-P energy: -78.424 bonds (distance) P-C4' energy: -56.345 flat angles C4'-P-C4' energy: -82.701 flat angles P-C4'-P energy: -41.242 tors. eta vs tors. theta energy: -21.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -609.088703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.088703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.088703 (E_RNA) where: Base-Base interactions energy: -338.262 where: short stacking energy: -177.509 Base-Backbone interact. energy: -1.411 local terms energy: -269.415679 where: bonds (distance) C4'-P energy: -87.370 bonds (distance) P-C4' energy: -73.380 flat angles C4'-P-C4' energy: -64.689 flat angles P-C4'-P energy: -47.087 tors. eta vs tors. theta energy: 3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -388.231305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.231305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.231305 (E_RNA) where: Base-Base interactions energy: -147.492 where: short stacking energy: -129.131 Base-Backbone interact. energy: -1.074 local terms energy: -239.664482 where: bonds (distance) C4'-P energy: -88.486 bonds (distance) P-C4' energy: -69.672 flat angles C4'-P-C4' energy: -64.045 flat angles P-C4'-P energy: -36.342 tors. eta vs tors. theta energy: 18.880 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: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1542.269276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.269276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.269276 (E_RNA) where: Base-Base interactions energy: -1048.303 where: short stacking energy: -459.789 Base-Backbone interact. energy: -4.435 local terms energy: -489.531157 where: bonds (distance) C4'-P energy: -97.324 bonds (distance) P-C4' energy: -93.632 flat angles C4'-P-C4' energy: -101.980 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -133.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1466.404798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.404798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.404798 (E_RNA) where: Base-Base interactions energy: -994.986 where: short stacking energy: -453.163 Base-Backbone interact. energy: 0.882 local terms energy: -472.300353 where: bonds (distance) C4'-P energy: -83.663 bonds (distance) P-C4' energy: -91.712 flat angles C4'-P-C4' energy: -99.132 flat angles P-C4'-P energy: -61.849 tors. eta vs tors. theta energy: -135.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1326.228698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.228698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.228698 (E_RNA) where: Base-Base interactions energy: -849.568 where: short stacking energy: -400.948 Base-Backbone interact. energy: -2.308 local terms energy: -474.352541 where: bonds (distance) C4'-P energy: -88.708 bonds (distance) P-C4' energy: -97.865 flat angles C4'-P-C4' energy: -108.756 flat angles P-C4'-P energy: -64.162 tors. eta vs tors. theta energy: -114.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1278.033866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.033866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.033866 (E_RNA) where: Base-Base interactions energy: -851.657 where: short stacking energy: -371.220 Base-Backbone interact. energy: -3.407 local terms energy: -422.970237 where: bonds (distance) C4'-P energy: -83.701 bonds (distance) P-C4' energy: -85.107 flat angles C4'-P-C4' energy: -95.544 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -104.418 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: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1175.145140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.145140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.145140 (E_RNA) where: Base-Base interactions energy: -765.266 where: short stacking energy: -364.648 Base-Backbone interact. energy: -2.363 local terms energy: -407.515721 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -87.893 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -90.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1078.032997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.032997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.032997 (E_RNA) where: Base-Base interactions energy: -666.695 where: short stacking energy: -343.172 Base-Backbone interact. energy: -1.000 local terms energy: -410.338372 where: bonds (distance) C4'-P energy: -74.107 bonds (distance) P-C4' energy: -102.733 flat angles C4'-P-C4' energy: -95.480 flat angles P-C4'-P energy: -56.353 tors. eta vs tors. theta energy: -81.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -867.196617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.196617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.196617 (E_RNA) where: Base-Base interactions energy: -507.328 where: short stacking energy: -249.918 Base-Backbone interact. energy: 2.102 local terms energy: -361.970611 where: bonds (distance) C4'-P energy: -71.709 bonds (distance) P-C4' energy: -94.097 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -64.437 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: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -643.974078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.974078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.974078 (E_RNA) where: Base-Base interactions energy: -343.357 where: short stacking energy: -169.533 Base-Backbone interact. energy: 3.108 local terms energy: -303.725158 where: bonds (distance) C4'-P energy: -89.537 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -41.107 tors. eta vs tors. theta energy: -15.205 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: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -591.597094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.597094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.597094 (E_RNA) where: Base-Base interactions energy: -322.026 where: short stacking energy: -174.021 Base-Backbone interact. energy: -1.224 local terms energy: -268.347102 where: bonds (distance) C4'-P energy: -82.954 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -79.187 flat angles P-C4'-P energy: -42.266 tors. eta vs tors. theta energy: -2.994 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: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -371.862345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.862345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.862345 (E_RNA) where: Base-Base interactions energy: -118.649 where: short stacking energy: -112.228 Base-Backbone interact. energy: -2.683 local terms energy: -250.530102 where: bonds (distance) C4'-P energy: -76.411 bonds (distance) P-C4' energy: -82.842 flat angles C4'-P-C4' energy: -59.267 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: 9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1531.691745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.691745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.691745 (E_RNA) where: Base-Base interactions energy: -1020.501 where: short stacking energy: -481.509 Base-Backbone interact. energy: -0.451 local terms energy: -510.739882 where: bonds (distance) C4'-P energy: -85.183 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -105.080 flat angles P-C4'-P energy: -77.615 tors. eta vs tors. theta energy: -135.231 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: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1467.127576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.127576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.127576 (E_RNA) where: Base-Base interactions energy: -984.757 where: short stacking energy: -450.903 Base-Backbone interact. energy: -1.018 local terms energy: -481.353401 where: bonds (distance) C4'-P energy: -90.420 bonds (distance) P-C4' energy: -85.904 flat angles C4'-P-C4' energy: -109.948 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -137.073 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: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1354.856847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.856847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.856847 (E_RNA) where: Base-Base interactions energy: -878.205 where: short stacking energy: -388.625 Base-Backbone interact. energy: -2.567 local terms energy: -474.085769 where: bonds (distance) C4'-P energy: -103.042 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -108.101 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -114.087 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: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1314.868057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.868057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.868057 (E_RNA) where: Base-Base interactions energy: -835.315 where: short stacking energy: -392.928 Base-Backbone interact. energy: -1.875 local terms energy: -477.677944 where: bonds (distance) C4'-P energy: -88.652 bonds (distance) P-C4' energy: -93.704 flat angles C4'-P-C4' energy: -104.366 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: -120.813 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: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1239.177592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.177592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.177592 (E_RNA) where: Base-Base interactions energy: -799.056 where: short stacking energy: -369.262 Base-Backbone interact. energy: -2.049 local terms energy: -438.073423 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -89.060 flat angles C4'-P-C4' energy: -93.073 flat angles P-C4'-P energy: -62.865 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1031.907957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.907957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.907957 (E_RNA) where: Base-Base interactions energy: -661.465 where: short stacking energy: -334.503 Base-Backbone interact. energy: -4.203 local terms energy: -366.240571 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -92.165 flat angles C4'-P-C4' energy: -83.318 flat angles P-C4'-P energy: -48.035 tors. eta vs tors. theta energy: -77.655 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: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -821.976998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.976998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.976998 (E_RNA) where: Base-Base interactions energy: -480.795 where: short stacking energy: -255.619 Base-Backbone interact. energy: 1.338 local terms energy: -342.520031 where: bonds (distance) C4'-P energy: -77.002 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -86.500 flat angles P-C4'-P energy: -50.046 tors. eta vs tors. theta energy: -58.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -644.578550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.578550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.578550 (E_RNA) where: Base-Base interactions energy: -344.191 where: short stacking energy: -178.857 Base-Backbone interact. energy: -1.654 local terms energy: -298.733247 where: bonds (distance) C4'-P energy: -71.846 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -68.980 flat angles P-C4'-P energy: -50.215 tors. eta vs tors. theta energy: -22.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -561.193761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.193761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.193761 (E_RNA) where: Base-Base interactions energy: -247.210 where: short stacking energy: -166.207 Base-Backbone interact. energy: -0.724 local terms energy: -313.259646 where: bonds (distance) C4'-P energy: -83.601 bonds (distance) P-C4' energy: -94.024 flat angles C4'-P-C4' energy: -63.255 flat angles P-C4'-P energy: -52.954 tors. eta vs tors. theta energy: -19.426 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: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -382.262611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.262611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.262611 (E_RNA) where: Base-Base interactions energy: -152.721 where: short stacking energy: -119.877 Base-Backbone interact. energy: -2.162 local terms energy: -227.379504 where: bonds (distance) C4'-P energy: -64.379 bonds (distance) P-C4' energy: -85.874 flat angles C4'-P-C4' energy: -58.399 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: 15.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1541.014327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.014327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.014327 (E_RNA) where: Base-Base interactions energy: -1042.635 where: short stacking energy: -462.545 Base-Backbone interact. energy: -2.042 local terms energy: -496.337264 where: bonds (distance) C4'-P energy: -98.596 bonds (distance) P-C4' energy: -83.166 flat angles C4'-P-C4' energy: -101.893 flat angles P-C4'-P energy: -80.226 tors. eta vs tors. theta energy: -132.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1434.399245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.399245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.399245 (E_RNA) where: Base-Base interactions energy: -962.571 where: short stacking energy: -431.294 Base-Backbone interact. energy: -2.281 local terms energy: -469.546514 where: bonds (distance) C4'-P energy: -93.811 bonds (distance) P-C4' energy: -86.387 flat angles C4'-P-C4' energy: -104.696 flat angles P-C4'-P energy: -61.385 tors. eta vs tors. theta energy: -123.268 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: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1331.122424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.122424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.122424 (E_RNA) where: Base-Base interactions energy: -900.180 where: short stacking energy: -384.176 Base-Backbone interact. energy: 0.809 local terms energy: -431.751302 where: bonds (distance) C4'-P energy: -84.824 bonds (distance) P-C4' energy: -85.055 flat angles C4'-P-C4' energy: -91.206 flat angles P-C4'-P energy: -59.011 tors. eta vs tors. theta energy: -111.655 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: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1299.368126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.368126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.368126 (E_RNA) where: Base-Base interactions energy: -843.754 where: short stacking energy: -410.201 Base-Backbone interact. energy: -1.985 local terms energy: -453.628482 where: bonds (distance) C4'-P energy: -88.457 bonds (distance) P-C4' energy: -91.723 flat angles C4'-P-C4' energy: -95.438 flat angles P-C4'-P energy: -54.956 tors. eta vs tors. theta energy: -123.055 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: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1255.128565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.128565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.128565 (E_RNA) where: Base-Base interactions energy: -821.835 where: short stacking energy: -378.967 Base-Backbone interact. energy: 1.226 local terms energy: -434.519669 where: bonds (distance) C4'-P energy: -93.294 bonds (distance) P-C4' energy: -86.384 flat angles C4'-P-C4' energy: -96.682 flat angles P-C4'-P energy: -58.647 tors. eta vs tors. theta energy: -99.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1059.749375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.749375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.749375 (E_RNA) where: Base-Base interactions energy: -663.212 where: short stacking energy: -309.255 Base-Backbone interact. energy: 0.201 local terms energy: -396.738225 where: bonds (distance) C4'-P energy: -74.977 bonds (distance) P-C4' energy: -87.858 flat angles C4'-P-C4' energy: -95.478 flat angles P-C4'-P energy: -59.358 tors. eta vs tors. theta energy: -79.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -820.909444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.909444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.909444 (E_RNA) where: Base-Base interactions energy: -478.836 where: short stacking energy: -241.334 Base-Backbone interact. energy: 4.060 local terms energy: -346.133093 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -88.901 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -59.768 tors. eta vs tors. theta energy: -40.641 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: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -658.835535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.835535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.835535 (E_RNA) where: Base-Base interactions energy: -345.468 where: short stacking energy: -195.022 Base-Backbone interact. energy: -1.116 local terms energy: -312.251984 where: bonds (distance) C4'-P energy: -80.136 bonds (distance) P-C4' energy: -86.928 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -53.494 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -595.982847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.982847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.982847 (E_RNA) where: Base-Base interactions energy: -294.928 where: short stacking energy: -147.812 Base-Backbone interact. energy: -1.222 local terms energy: -299.832649 where: bonds (distance) C4'-P energy: -84.340 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -84.291 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: -7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -387.220122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.220122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.220122 (E_RNA) where: Base-Base interactions energy: -131.319 where: short stacking energy: -106.986 Base-Backbone interact. energy: 0.999 local terms energy: -256.900476 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -69.334 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -54.525 tors. eta vs tors. theta energy: 5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1544.893966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.893966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.893966 (E_RNA) where: Base-Base interactions energy: -1036.872 where: short stacking energy: -449.019 Base-Backbone interact. energy: -2.941 local terms energy: -505.081209 where: bonds (distance) C4'-P energy: -89.457 bonds (distance) P-C4' energy: -102.314 flat angles C4'-P-C4' energy: -106.406 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -139.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1457.248740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.248740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.248740 (E_RNA) where: Base-Base interactions energy: -958.351 where: short stacking energy: -433.672 Base-Backbone interact. energy: -1.342 local terms energy: -497.555275 where: bonds (distance) C4'-P energy: -90.532 bonds (distance) P-C4' energy: -97.718 flat angles C4'-P-C4' energy: -110.610 flat angles P-C4'-P energy: -66.729 tors. eta vs tors. theta energy: -131.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1327.166674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.166674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.166674 (E_RNA) where: Base-Base interactions energy: -860.675 where: short stacking energy: -389.410 Base-Backbone interact. energy: -4.641 local terms energy: -461.850054 where: bonds (distance) C4'-P energy: -89.346 bonds (distance) P-C4' energy: -107.357 flat angles C4'-P-C4' energy: -99.721 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -116.274 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: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1282.483038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.483038 (E_RNA) where: Base-Base interactions energy: -826.660 where: short stacking energy: -406.202 Base-Backbone interact. energy: 0.399 local terms energy: -456.222254 where: bonds (distance) C4'-P energy: -86.553 bonds (distance) P-C4' energy: -78.539 flat angles C4'-P-C4' energy: -110.048 flat angles P-C4'-P energy: -64.363 tors. eta vs tors. theta energy: -116.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1258.779232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.779232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.779232 (E_RNA) where: Base-Base interactions energy: -822.487 where: short stacking energy: -386.503 Base-Backbone interact. energy: -2.343 local terms energy: -433.949674 where: bonds (distance) C4'-P energy: -81.824 bonds (distance) P-C4' energy: -92.245 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -61.170 tors. eta vs tors. theta energy: -111.868 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: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1081.184047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.184047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.184047 (E_RNA) where: Base-Base interactions energy: -695.529 where: short stacking energy: -317.397 Base-Backbone interact. energy: 1.019 local terms energy: -386.674587 where: bonds (distance) C4'-P energy: -76.325 bonds (distance) P-C4' energy: -89.080 flat angles C4'-P-C4' energy: -94.775 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -79.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -789.396458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.396458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.396458 (E_RNA) where: Base-Base interactions energy: -475.094 where: short stacking energy: -250.351 Base-Backbone interact. energy: 0.671 local terms energy: -314.974244 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -78.098 flat angles C4'-P-C4' energy: -69.052 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -37.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -638.580432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.580432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.580432 (E_RNA) where: Base-Base interactions energy: -355.565 where: short stacking energy: -220.556 Base-Backbone interact. energy: -1.237 local terms energy: -281.779139 where: bonds (distance) C4'-P energy: -67.459 bonds (distance) P-C4' energy: -72.779 flat angles C4'-P-C4' energy: -80.992 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: -21.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -594.129338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.129338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.129338 (E_RNA) where: Base-Base interactions energy: -306.999 where: short stacking energy: -155.730 Base-Backbone interact. energy: -0.926 local terms energy: -286.204924 where: bonds (distance) C4'-P energy: -72.875 bonds (distance) P-C4' energy: -89.901 flat angles C4'-P-C4' energy: -74.726 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: 2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -359.250990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.250990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.250990 (E_RNA) where: Base-Base interactions energy: -131.659 where: short stacking energy: -108.206 Base-Backbone interact. energy: 1.059 local terms energy: -228.650472 where: bonds (distance) C4'-P energy: -78.792 bonds (distance) P-C4' energy: -80.594 flat angles C4'-P-C4' energy: -56.558 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: 24.652 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: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1536.296836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.296836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.296836 (E_RNA) where: Base-Base interactions energy: -1034.589 where: short stacking energy: -457.190 Base-Backbone interact. energy: -6.314 local terms energy: -495.393934 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -97.214 flat angles C4'-P-C4' energy: -103.906 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -124.851 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: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1397.181345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.181345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.181345 (E_RNA) where: Base-Base interactions energy: -907.604 where: short stacking energy: -402.584 Base-Backbone interact. energy: -3.264 local terms energy: -486.313230 where: bonds (distance) C4'-P energy: -91.623 bonds (distance) P-C4' energy: -108.115 flat angles C4'-P-C4' energy: -101.318 flat angles P-C4'-P energy: -65.024 tors. eta vs tors. theta energy: -120.233 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: 367 Temperature: 1.000000 Total energy: -1364.094706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.094706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.094706 (E_RNA) where: Base-Base interactions energy: -897.101 where: short stacking energy: -419.294 Base-Backbone interact. energy: -2.444 local terms energy: -464.550307 where: bonds (distance) C4'-P energy: -80.473 bonds (distance) P-C4' energy: -90.958 flat angles C4'-P-C4' energy: -101.341 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -122.725 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: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1320.438963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.438963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.438963 (E_RNA) where: Base-Base interactions energy: -854.621 where: short stacking energy: -393.754 Base-Backbone interact. energy: 1.547 local terms energy: -467.364799 where: bonds (distance) C4'-P energy: -83.913 bonds (distance) P-C4' energy: -86.521 flat angles C4'-P-C4' energy: -102.298 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -126.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1212.217635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.217635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.217635 (E_RNA) where: Base-Base interactions energy: -775.988 where: short stacking energy: -360.519 Base-Backbone interact. energy: -1.387 local terms energy: -434.843159 where: bonds (distance) C4'-P energy: -79.657 bonds (distance) P-C4' energy: -92.749 flat angles C4'-P-C4' energy: -105.263 flat angles P-C4'-P energy: -68.156 tors. eta vs tors. theta energy: -89.019 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: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1104.927642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.927642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.927642 (E_RNA) where: Base-Base interactions energy: -708.265 where: short stacking energy: -336.357 Base-Backbone interact. energy: -1.177 local terms energy: -395.485089 where: bonds (distance) C4'-P energy: -81.260 bonds (distance) P-C4' energy: -86.035 flat angles C4'-P-C4' energy: -87.109 flat angles P-C4'-P energy: -61.201 tors. eta vs tors. theta energy: -79.880 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: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -818.696371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.696371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.696371 (E_RNA) where: Base-Base interactions energy: -501.691 where: short stacking energy: -237.769 Base-Backbone interact. energy: -4.646 local terms energy: -312.359531 where: bonds (distance) C4'-P energy: -82.349 bonds (distance) P-C4' energy: -78.899 flat angles C4'-P-C4' energy: -68.557 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -35.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -651.891105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.891105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.891105 (E_RNA) where: Base-Base interactions energy: -328.979 where: short stacking energy: -183.903 Base-Backbone interact. energy: 2.038 local terms energy: -324.949991 where: bonds (distance) C4'-P energy: -83.714 bonds (distance) P-C4' energy: -80.888 flat angles C4'-P-C4' energy: -81.863 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -14.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -594.754029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.754029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.754029 (E_RNA) where: Base-Base interactions energy: -308.253 where: short stacking energy: -169.618 Base-Backbone interact. energy: -1.350 local terms energy: -285.151308 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -86.187 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -9.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -356.787148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.787148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.787148 (E_RNA) where: Base-Base interactions energy: -116.491 where: short stacking energy: -102.979 Base-Backbone interact. energy: 2.438 local terms energy: -242.734200 where: bonds (distance) C4'-P energy: -71.510 bonds (distance) P-C4' energy: -77.202 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: 17.635 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: 1, replica: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1561.543171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.543171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.543171 (E_RNA) where: Base-Base interactions energy: -1063.561 where: short stacking energy: -466.797 Base-Backbone interact. energy: -6.537 local terms energy: -491.445814 where: bonds (distance) C4'-P energy: -96.973 bonds (distance) P-C4' energy: -100.458 flat angles C4'-P-C4' energy: -99.258 flat angles P-C4'-P energy: -59.433 tors. eta vs tors. theta energy: -135.324 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1399.003656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.003656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.003656 (E_RNA) where: Base-Base interactions energy: -917.557 where: short stacking energy: -397.992 Base-Backbone interact. energy: -2.119 local terms energy: -479.327684 where: bonds (distance) C4'-P energy: -100.842 bonds (distance) P-C4' energy: -92.054 flat angles C4'-P-C4' energy: -102.777 flat angles P-C4'-P energy: -67.976 tors. eta vs tors. theta energy: -115.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1325.445631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.445631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.445631 (E_RNA) where: Base-Base interactions energy: -876.061 where: short stacking energy: -423.650 Base-Backbone interact. energy: 0.634 local terms energy: -450.018230 where: bonds (distance) C4'-P energy: -81.206 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -68.733 tors. eta vs tors. theta energy: -122.970 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: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1371.762411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.762411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.762411 (E_RNA) where: Base-Base interactions energy: -892.305 where: short stacking energy: -429.180 Base-Backbone interact. energy: -1.942 local terms energy: -477.514924 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -91.647 flat angles C4'-P-C4' energy: -96.320 flat angles P-C4'-P energy: -67.962 tors. eta vs tors. theta energy: -130.505 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: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1202.368185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.368185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.368185 (E_RNA) where: Base-Base interactions energy: -764.328 where: short stacking energy: -348.337 Base-Backbone interact. energy: -0.837 local terms energy: -437.203684 where: bonds (distance) C4'-P energy: -80.439 bonds (distance) P-C4' energy: -101.876 flat angles C4'-P-C4' energy: -98.238 flat angles P-C4'-P energy: -56.475 tors. eta vs tors. theta energy: -100.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1066.685242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.685242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.685242 (E_RNA) where: Base-Base interactions energy: -691.145 where: short stacking energy: -307.229 Base-Backbone interact. energy: 2.674 local terms energy: -378.213951 where: bonds (distance) C4'-P energy: -82.008 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -91.128 flat angles P-C4'-P energy: -62.433 tors. eta vs tors. theta energy: -76.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -821.328921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.328921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.328921 (E_RNA) where: Base-Base interactions energy: -460.025 where: short stacking energy: -248.966 Base-Backbone interact. energy: -2.877 local terms energy: -358.426903 where: bonds (distance) C4'-P energy: -78.232 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -88.625 flat angles P-C4'-P energy: -50.270 tors. eta vs tors. theta energy: -37.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -676.256944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.256944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.256944 (E_RNA) where: Base-Base interactions energy: -365.666 where: short stacking energy: -202.290 Base-Backbone interact. energy: 3.622 local terms energy: -314.213793 where: bonds (distance) C4'-P energy: -86.216 bonds (distance) P-C4' energy: -100.077 flat angles C4'-P-C4' energy: -69.154 flat angles P-C4'-P energy: -37.434 tors. eta vs tors. theta energy: -21.332 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: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -552.752185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.752185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.752185 (E_RNA) where: Base-Base interactions energy: -272.204 where: short stacking energy: -147.938 Base-Backbone interact. energy: -0.579 local terms energy: -279.969950 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -86.665 flat angles C4'-P-C4' energy: -75.580 flat angles P-C4'-P energy: -46.009 tors. eta vs tors. theta energy: -14.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -366.233396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.233396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.233396 (E_RNA) where: Base-Base interactions energy: -133.767 where: short stacking energy: -116.166 Base-Backbone interact. energy: -2.931 local terms energy: -229.536330 where: bonds (distance) C4'-P energy: -71.872 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -59.018 flat angles P-C4'-P energy: -40.320 tors. eta vs tors. theta energy: 22.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1547.516949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.516949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.516949 (E_RNA) where: Base-Base interactions energy: -1051.987 where: short stacking energy: -437.528 Base-Backbone interact. energy: -4.670 local terms energy: -490.859844 where: bonds (distance) C4'-P energy: -91.484 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -106.809 flat angles P-C4'-P energy: -73.652 tors. eta vs tors. theta energy: -131.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1420.817904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.817904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.817904 (E_RNA) where: Base-Base interactions energy: -935.992 where: short stacking energy: -441.645 Base-Backbone interact. energy: -1.970 local terms energy: -482.856277 where: bonds (distance) C4'-P energy: -85.410 bonds (distance) P-C4' energy: -103.510 flat angles C4'-P-C4' energy: -95.803 flat angles P-C4'-P energy: -68.639 tors. eta vs tors. theta energy: -129.495 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: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1358.107976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.107976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.107976 (E_RNA) where: Base-Base interactions energy: -856.491 where: short stacking energy: -395.185 Base-Backbone interact. energy: 0.543 local terms energy: -502.159531 where: bonds (distance) C4'-P energy: -92.334 bonds (distance) P-C4' energy: -95.902 flat angles C4'-P-C4' energy: -105.984 flat angles P-C4'-P energy: -81.067 tors. eta vs tors. theta energy: -126.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1341.841035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.841035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.841035 (E_RNA) where: Base-Base interactions energy: -882.392 where: short stacking energy: -399.804 Base-Backbone interact. energy: -1.002 local terms energy: -458.446899 where: bonds (distance) C4'-P energy: -97.546 bonds (distance) P-C4' energy: -78.482 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -124.831 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: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1217.703579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.703579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.703579 (E_RNA) where: Base-Base interactions energy: -798.911 where: short stacking energy: -378.427 Base-Backbone interact. energy: -1.420 local terms energy: -417.372014 where: bonds (distance) C4'-P energy: -96.151 bonds (distance) P-C4' energy: -80.582 flat angles C4'-P-C4' energy: -91.235 flat angles P-C4'-P energy: -56.499 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: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1021.248562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.248562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.248562 (E_RNA) where: Base-Base interactions energy: -648.503 where: short stacking energy: -266.609 Base-Backbone interact. energy: -3.494 local terms energy: -369.251724 where: bonds (distance) C4'-P energy: -75.280 bonds (distance) P-C4' energy: -98.362 flat angles C4'-P-C4' energy: -74.237 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -56.734 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: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -784.188255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.188255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.188255 (E_RNA) where: Base-Base interactions energy: -439.688 where: short stacking energy: -220.851 Base-Backbone interact. energy: 0.685 local terms energy: -345.185809 where: bonds (distance) C4'-P energy: -78.975 bonds (distance) P-C4' energy: -86.472 flat angles C4'-P-C4' energy: -82.630 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -36.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -664.053137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.053137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.053137 (E_RNA) where: Base-Base interactions energy: -355.191 where: short stacking energy: -192.021 Base-Backbone interact. energy: 0.652 local terms energy: -309.513698 where: bonds (distance) C4'-P energy: -74.066 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -93.108 flat angles P-C4'-P energy: -32.349 tors. eta vs tors. theta energy: -25.427 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -563.657766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.657766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.657766 (E_RNA) where: Base-Base interactions energy: -291.759 where: short stacking energy: -171.989 Base-Backbone interact. energy: 1.003 local terms energy: -272.902079 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -78.202 flat angles C4'-P-C4' energy: -81.096 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -371.720324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.720324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.720324 (E_RNA) where: Base-Base interactions energy: -116.015 where: short stacking energy: -93.717 Base-Backbone interact. energy: 0.703 local terms energy: -256.407771 where: bonds (distance) C4'-P energy: -90.068 bonds (distance) P-C4' energy: -71.357 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -23.928 tors. eta vs tors. theta energy: 10.583 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: 1, replica: 1 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1540.734032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.734032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.734032 (E_RNA) where: Base-Base interactions energy: -1042.318 where: short stacking energy: -468.445 Base-Backbone interact. energy: -3.518 local terms energy: -494.898396 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -96.096 flat angles C4'-P-C4' energy: -110.414 flat angles P-C4'-P energy: -66.042 tors. eta vs tors. theta energy: -134.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1415.983935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.983935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.983935 (E_RNA) where: Base-Base interactions energy: -952.762 where: short stacking energy: -431.904 Base-Backbone interact. energy: -2.119 local terms energy: -461.102643 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -95.619 flat angles C4'-P-C4' energy: -91.770 flat angles P-C4'-P energy: -68.111 tors. eta vs tors. theta energy: -121.948 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: 3, replica: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1389.726289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.726289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.726289 (E_RNA) where: Base-Base interactions energy: -901.200 where: short stacking energy: -423.487 Base-Backbone interact. energy: -2.588 local terms energy: -485.938117 where: bonds (distance) C4'-P energy: -98.168 bonds (distance) P-C4' energy: -91.007 flat angles C4'-P-C4' energy: -102.188 flat angles P-C4'-P energy: -67.685 tors. eta vs tors. theta energy: -126.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1276.305187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.305187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.305187 (E_RNA) where: Base-Base interactions energy: -826.220 where: short stacking energy: -397.496 Base-Backbone interact. energy: -1.604 local terms energy: -448.480770 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -103.073 flat angles P-C4'-P energy: -54.471 tors. eta vs tors. theta energy: -118.379 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: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1221.405564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.405564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.405564 (E_RNA) where: Base-Base interactions energy: -800.062 where: short stacking energy: -352.963 Base-Backbone interact. energy: -1.767 local terms energy: -419.576576 where: bonds (distance) C4'-P energy: -80.837 bonds (distance) P-C4' energy: -87.235 flat angles C4'-P-C4' energy: -98.365 flat angles P-C4'-P energy: -60.999 tors. eta vs tors. theta energy: -92.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1048.928722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.928722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.928722 (E_RNA) where: Base-Base interactions energy: -647.524 where: short stacking energy: -307.204 Base-Backbone interact. energy: 0.697 local terms energy: -402.101652 where: bonds (distance) C4'-P energy: -90.492 bonds (distance) P-C4' energy: -91.401 flat angles C4'-P-C4' energy: -90.368 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -74.572 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: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -707.922656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.922656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.922656 (E_RNA) where: Base-Base interactions energy: -373.943 where: short stacking energy: -228.928 Base-Backbone interact. energy: 1.774 local terms energy: -335.753651 where: bonds (distance) C4'-P energy: -74.356 bonds (distance) P-C4' energy: -82.060 flat angles C4'-P-C4' energy: -71.066 flat angles P-C4'-P energy: -63.862 tors. eta vs tors. theta energy: -44.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -688.248660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.248660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.248660 (E_RNA) where: Base-Base interactions energy: -401.837 where: short stacking energy: -193.167 Base-Backbone interact. energy: 0.325 local terms energy: -286.736594 where: bonds (distance) C4'-P energy: -84.579 bonds (distance) P-C4' energy: -81.450 flat angles C4'-P-C4' energy: -73.644 flat angles P-C4'-P energy: -31.212 tors. eta vs tors. theta energy: -15.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -561.226514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.226514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.226514 (E_RNA) where: Base-Base interactions energy: -285.369 where: short stacking energy: -151.375 Base-Backbone interact. energy: 0.580 local terms energy: -276.437323 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -85.083 flat angles C4'-P-C4' energy: -77.290 flat angles P-C4'-P energy: -34.168 tors. eta vs tors. theta energy: -15.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -373.011676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.011676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.011676 (E_RNA) where: Base-Base interactions energy: -129.618 where: short stacking energy: -85.013 Base-Backbone interact. energy: 2.726 local terms energy: -246.119436 where: bonds (distance) C4'-P energy: -89.003 bonds (distance) P-C4' energy: -73.213 flat angles C4'-P-C4' energy: -55.920 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: 19.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1569.090315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.090315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.090315 (E_RNA) where: Base-Base interactions energy: -1069.561 where: short stacking energy: -455.524 Base-Backbone interact. energy: -0.531 local terms energy: -498.998111 where: bonds (distance) C4'-P energy: -103.856 bonds (distance) P-C4' energy: -99.591 flat angles C4'-P-C4' energy: -95.158 flat angles P-C4'-P energy: -63.133 tors. eta vs tors. theta energy: -137.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1409.401845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.401845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.401845 (E_RNA) where: Base-Base interactions energy: -929.742 where: short stacking energy: -431.219 Base-Backbone interact. energy: -2.044 local terms energy: -477.615402 where: bonds (distance) C4'-P energy: -81.625 bonds (distance) P-C4' energy: -94.793 flat angles C4'-P-C4' energy: -99.207 flat angles P-C4'-P energy: -74.380 tors. eta vs tors. theta energy: -127.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1360.706713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.706713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.706713 (E_RNA) where: Base-Base interactions energy: -912.468 where: short stacking energy: -407.018 Base-Backbone interact. energy: -2.186 local terms energy: -446.052630 where: bonds (distance) C4'-P energy: -81.202 bonds (distance) P-C4' energy: -85.775 flat angles C4'-P-C4' energy: -96.783 flat angles P-C4'-P energy: -63.826 tors. eta vs tors. theta energy: -118.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1275.622014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.622014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.622014 (E_RNA) where: Base-Base interactions energy: -827.927 where: short stacking energy: -369.741 Base-Backbone interact. energy: -1.522 local terms energy: -446.173070 where: bonds (distance) C4'-P energy: -84.917 bonds (distance) P-C4' energy: -93.021 flat angles C4'-P-C4' energy: -94.343 flat angles P-C4'-P energy: -72.131 tors. eta vs tors. theta energy: -101.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1216.507956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.507956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.507956 (E_RNA) where: Base-Base interactions energy: -800.634 where: short stacking energy: -393.536 Base-Backbone interact. energy: 0.205 local terms energy: -416.078807 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -103.131 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -92.523 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: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1071.487119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.487119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.487119 (E_RNA) where: Base-Base interactions energy: -682.339 where: short stacking energy: -302.790 Base-Backbone interact. energy: -1.913 local terms energy: -387.235694 where: bonds (distance) C4'-P energy: -92.428 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -86.769 flat angles P-C4'-P energy: -52.269 tors. eta vs tors. theta energy: -66.952 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: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -726.971336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.971336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.971336 (E_RNA) where: Base-Base interactions energy: -397.601 where: short stacking energy: -198.637 Base-Backbone interact. energy: -3.086 local terms energy: -326.284200 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -86.884 flat angles C4'-P-C4' energy: -76.452 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -36.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -732.806487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.806487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.806487 (E_RNA) where: Base-Base interactions energy: -434.808 where: short stacking energy: -218.756 Base-Backbone interact. energy: 1.783 local terms energy: -299.781447 where: bonds (distance) C4'-P energy: -63.059 bonds (distance) P-C4' energy: -94.393 flat angles C4'-P-C4' energy: -67.404 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -30.025 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: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -578.876246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.876246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.876246 (E_RNA) where: Base-Base interactions energy: -307.219 where: short stacking energy: -152.853 Base-Backbone interact. energy: -1.331 local terms energy: -270.326245 where: bonds (distance) C4'-P energy: -86.826 bonds (distance) P-C4' energy: -83.302 flat angles C4'-P-C4' energy: -77.581 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: 7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -391.519536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.519536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.519536 (E_RNA) where: Base-Base interactions energy: -145.046 where: short stacking energy: -118.943 Base-Backbone interact. energy: 0.411 local terms energy: -246.884253 where: bonds (distance) C4'-P energy: -76.858 bonds (distance) P-C4' energy: -80.008 flat angles C4'-P-C4' energy: -65.018 flat angles P-C4'-P energy: -27.579 tors. eta vs tors. theta energy: 2.579 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: 1 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1576.610034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.610034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.610034 (E_RNA) where: Base-Base interactions energy: -1070.158 where: short stacking energy: -471.610 Base-Backbone interact. energy: -1.875 local terms energy: -504.576859 where: bonds (distance) C4'-P energy: -98.696 bonds (distance) P-C4' energy: -103.224 flat angles C4'-P-C4' energy: -99.407 flat angles P-C4'-P energy: -63.397 tors. eta vs tors. theta energy: -139.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1402.606590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.606590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.606590 (E_RNA) where: Base-Base interactions energy: -920.947 where: short stacking energy: -426.591 Base-Backbone interact. energy: -1.650 local terms energy: -480.009101 where: bonds (distance) C4'-P energy: -88.229 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -105.086 flat angles P-C4'-P energy: -71.944 tors. eta vs tors. theta energy: -122.115 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: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1336.508516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.508516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.508516 (E_RNA) where: Base-Base interactions energy: -868.885 where: short stacking energy: -380.478 Base-Backbone interact. energy: -3.159 local terms energy: -464.465054 where: bonds (distance) C4'-P energy: -91.309 bonds (distance) P-C4' energy: -98.720 flat angles C4'-P-C4' energy: -107.233 flat angles P-C4'-P energy: -57.522 tors. eta vs tors. theta energy: -109.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1283.533049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.533049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.533049 (E_RNA) where: Base-Base interactions energy: -824.376 where: short stacking energy: -385.520 Base-Backbone interact. energy: -4.054 local terms energy: -455.102628 where: bonds (distance) C4'-P energy: -91.203 bonds (distance) P-C4' energy: -89.042 flat angles C4'-P-C4' energy: -99.063 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -103.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1234.602629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.602629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.602629 (E_RNA) where: Base-Base interactions energy: -791.854 where: short stacking energy: -372.710 Base-Backbone interact. energy: -1.601 local terms energy: -441.147159 where: bonds (distance) C4'-P energy: -91.701 bonds (distance) P-C4' energy: -83.106 flat angles C4'-P-C4' energy: -101.331 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -102.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1091.328955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.328955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.328955 (E_RNA) where: Base-Base interactions energy: -720.409 where: short stacking energy: -345.052 Base-Backbone interact. energy: -0.215 local terms energy: -370.705339 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -72.447 flat angles C4'-P-C4' energy: -93.513 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -85.548 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: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -792.913009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.913009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.913009 (E_RNA) where: Base-Base interactions energy: -421.512 where: short stacking energy: -226.294 Base-Backbone interact. energy: -0.668 local terms energy: -370.733745 where: bonds (distance) C4'-P energy: -74.673 bonds (distance) P-C4' energy: -89.945 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -52.593 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: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -687.024334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.024334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.024334 (E_RNA) where: Base-Base interactions energy: -393.078 where: short stacking energy: -190.875 Base-Backbone interact. energy: -2.238 local terms energy: -291.708079 where: bonds (distance) C4'-P energy: -70.213 bonds (distance) P-C4' energy: -78.724 flat angles C4'-P-C4' energy: -85.359 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: -21.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -577.839240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.839240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.839240 (E_RNA) where: Base-Base interactions energy: -277.260 where: short stacking energy: -165.344 Base-Backbone interact. energy: -1.806 local terms energy: -298.772928 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -84.889 flat angles C4'-P-C4' energy: -85.147 flat angles P-C4'-P energy: -40.781 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -393.533080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.533080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.533080 (E_RNA) where: Base-Base interactions energy: -133.329 where: short stacking energy: -101.637 Base-Backbone interact. energy: 0.714 local terms energy: -260.917766 where: bonds (distance) C4'-P energy: -71.474 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -63.628 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: 7.295 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: 1 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1552.388349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.388349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.388349 (E_RNA) where: Base-Base interactions energy: -1070.181 where: short stacking energy: -471.421 Base-Backbone interact. energy: 7.807 local terms energy: -490.014049 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -106.683 flat angles C4'-P-C4' energy: -99.810 flat angles P-C4'-P energy: -62.239 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: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1399.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.351769 (E_RNA) where: Base-Base interactions energy: -911.089 where: short stacking energy: -412.054 Base-Backbone interact. energy: 1.376 local terms energy: -489.638530 where: bonds (distance) C4'-P energy: -92.346 bonds (distance) P-C4' energy: -94.689 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -78.651 tors. eta vs tors. theta energy: -126.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1381.728875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.728875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.728875 (E_RNA) where: Base-Base interactions energy: -929.414 where: short stacking energy: -405.497 Base-Backbone interact. energy: -1.015 local terms energy: -451.300228 where: bonds (distance) C4'-P energy: -86.100 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -87.334 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: -123.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1285.647303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.647303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.647303 (E_RNA) where: Base-Base interactions energy: -834.554 where: short stacking energy: -370.961 Base-Backbone interact. energy: -0.221 local terms energy: -450.872542 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -91.762 flat angles C4'-P-C4' energy: -102.997 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -114.504 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: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1196.931793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.931793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.931793 (E_RNA) where: Base-Base interactions energy: -768.208 where: short stacking energy: -381.441 Base-Backbone interact. energy: -0.704 local terms energy: -428.019935 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -100.825 flat angles P-C4'-P energy: -56.996 tors. eta vs tors. theta energy: -96.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1050.233460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.233460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.233460 (E_RNA) where: Base-Base interactions energy: -658.877 where: short stacking energy: -304.626 Base-Backbone interact. energy: -2.033 local terms energy: -389.323665 where: bonds (distance) C4'-P energy: -81.380 bonds (distance) P-C4' energy: -94.414 flat angles C4'-P-C4' energy: -94.437 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -70.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -725.290676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.290676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.290676 (E_RNA) where: Base-Base interactions energy: -394.558 where: short stacking energy: -206.522 Base-Backbone interact. energy: 6.390 local terms energy: -337.122006 where: bonds (distance) C4'-P energy: -73.939 bonds (distance) P-C4' energy: -85.433 flat angles C4'-P-C4' energy: -96.282 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -33.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -707.887076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.887076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.887076 (E_RNA) where: Base-Base interactions energy: -386.294 where: short stacking energy: -183.839 Base-Backbone interact. energy: -1.463 local terms energy: -320.129823 where: bonds (distance) C4'-P energy: -89.714 bonds (distance) P-C4' energy: -90.209 flat angles C4'-P-C4' energy: -65.748 flat angles P-C4'-P energy: -46.991 tors. eta vs tors. theta energy: -27.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -531.835359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.835359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.835359 (E_RNA) where: Base-Base interactions energy: -251.609 where: short stacking energy: -169.183 Base-Backbone interact. energy: -0.090 local terms energy: -280.136356 where: bonds (distance) C4'-P energy: -71.462 bonds (distance) P-C4' energy: -79.975 flat angles C4'-P-C4' energy: -78.988 flat angles P-C4'-P energy: -47.147 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -375.670252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.670252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.670252 (E_RNA) where: Base-Base interactions energy: -115.848 where: short stacking energy: -104.001 Base-Backbone interact. energy: -1.737 local terms energy: -258.085587 where: bonds (distance) C4'-P energy: -74.708 bonds (distance) P-C4' energy: -78.685 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: 15.052 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: 1 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1558.364987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.364987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.364987 (E_RNA) where: Base-Base interactions energy: -1068.085 where: short stacking energy: -473.509 Base-Backbone interact. energy: -3.077 local terms energy: -487.203118 where: bonds (distance) C4'-P energy: -92.459 bonds (distance) P-C4' energy: -96.405 flat angles C4'-P-C4' energy: -103.449 flat angles P-C4'-P energy: -60.407 tors. eta vs tors. theta energy: -134.483 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1399.421553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.421553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.421553 (E_RNA) where: Base-Base interactions energy: -890.580 where: short stacking energy: -423.326 Base-Backbone interact. energy: -1.487 local terms energy: -507.354925 where: bonds (distance) C4'-P energy: -98.573 bonds (distance) P-C4' energy: -97.453 flat angles C4'-P-C4' energy: -114.543 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: -125.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1364.696891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.696891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.696891 (E_RNA) where: Base-Base interactions energy: -922.946 where: short stacking energy: -418.822 Base-Backbone interact. energy: 2.358 local terms energy: -444.108903 where: bonds (distance) C4'-P energy: -79.428 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -98.638 flat angles P-C4'-P energy: -64.035 tors. eta vs tors. theta energy: -111.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1305.008273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.008273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.008273 (E_RNA) where: Base-Base interactions energy: -855.770 where: short stacking energy: -402.058 Base-Backbone interact. energy: -2.283 local terms energy: -446.955266 where: bonds (distance) C4'-P energy: -92.348 bonds (distance) P-C4' energy: -78.909 flat angles C4'-P-C4' energy: -99.299 flat angles P-C4'-P energy: -58.400 tors. eta vs tors. theta energy: -117.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1238.619187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.619187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.619187 (E_RNA) where: Base-Base interactions energy: -794.522 where: short stacking energy: -372.832 Base-Backbone interact. energy: -1.350 local terms energy: -442.747155 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -88.091 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -73.594 tors. eta vs tors. theta energy: -111.607 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: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1058.151522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.151522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.151522 (E_RNA) where: Base-Base interactions energy: -692.322 where: short stacking energy: -300.686 Base-Backbone interact. energy: 3.201 local terms energy: -369.030386 where: bonds (distance) C4'-P energy: -64.764 bonds (distance) P-C4' energy: -100.434 flat angles C4'-P-C4' energy: -78.104 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -66.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -802.701776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.701776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.701776 (E_RNA) where: Base-Base interactions energy: -456.754 where: short stacking energy: -232.353 Base-Backbone interact. energy: -2.811 local terms energy: -343.136481 where: bonds (distance) C4'-P energy: -88.911 bonds (distance) P-C4' energy: -80.955 flat angles C4'-P-C4' energy: -82.101 flat angles P-C4'-P energy: -59.800 tors. eta vs tors. theta energy: -31.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -700.316140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.316140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.316140 (E_RNA) where: Base-Base interactions energy: -386.937 where: short stacking energy: -215.651 Base-Backbone interact. energy: -2.108 local terms energy: -311.270539 where: bonds (distance) C4'-P energy: -77.285 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -73.514 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -551.324049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.324049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.324049 (E_RNA) where: Base-Base interactions energy: -285.024 where: short stacking energy: -138.404 Base-Backbone interact. energy: 2.738 local terms energy: -269.038311 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -80.220 flat angles C4'-P-C4' energy: -69.118 flat angles P-C4'-P energy: -46.689 tors. eta vs tors. theta energy: 5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -373.624944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.624944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.624944 (E_RNA) where: Base-Base interactions energy: -128.028 where: short stacking energy: -115.650 Base-Backbone interact. energy: 5.236 local terms energy: -250.833563 where: bonds (distance) C4'-P energy: -69.255 bonds (distance) P-C4' energy: -94.602 flat angles C4'-P-C4' energy: -70.737 flat angles P-C4'-P energy: -29.704 tors. eta vs tors. theta energy: 13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1545.902149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.902149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.902149 (E_RNA) where: Base-Base interactions energy: -1047.162 where: short stacking energy: -462.764 Base-Backbone interact. energy: -2.732 local terms energy: -496.008345 where: bonds (distance) C4'-P energy: -87.338 bonds (distance) P-C4' energy: -96.883 flat angles C4'-P-C4' energy: -103.868 flat angles P-C4'-P energy: -72.001 tors. eta vs tors. theta energy: -135.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1436.705653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.705653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.705653 (E_RNA) where: Base-Base interactions energy: -942.187 where: short stacking energy: -429.899 Base-Backbone interact. energy: -0.317 local terms energy: -494.201303 where: bonds (distance) C4'-P energy: -99.672 bonds (distance) P-C4' energy: -88.994 flat angles C4'-P-C4' energy: -101.328 flat angles P-C4'-P energy: -78.110 tors. eta vs tors. theta energy: -126.097 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: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1356.692842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.692842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.692842 (E_RNA) where: Base-Base interactions energy: -892.028 where: short stacking energy: -407.810 Base-Backbone interact. energy: 4.006 local terms energy: -468.671385 where: bonds (distance) C4'-P energy: -91.136 bonds (distance) P-C4' energy: -85.574 flat angles C4'-P-C4' energy: -94.597 flat angles P-C4'-P energy: -70.227 tors. eta vs tors. theta energy: -127.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1267.236946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.236946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.236946 (E_RNA) where: Base-Base interactions energy: -820.236 where: short stacking energy: -392.476 Base-Backbone interact. energy: -1.910 local terms energy: -445.091465 where: bonds (distance) C4'-P energy: -84.197 bonds (distance) P-C4' energy: -94.056 flat angles C4'-P-C4' energy: -92.563 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -116.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1208.504617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.504617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.504617 (E_RNA) where: Base-Base interactions energy: -787.425 where: short stacking energy: -362.725 Base-Backbone interact. energy: -0.724 local terms energy: -420.355355 where: bonds (distance) C4'-P energy: -87.066 bonds (distance) P-C4' energy: -80.618 flat angles C4'-P-C4' energy: -93.600 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -100.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1064.308359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.308359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.308359 (E_RNA) where: Base-Base interactions energy: -683.609 where: short stacking energy: -322.628 Base-Backbone interact. energy: -0.801 local terms energy: -379.898343 where: bonds (distance) C4'-P energy: -82.849 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -95.388 flat angles P-C4'-P energy: -42.489 tors. eta vs tors. theta energy: -72.174 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: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -793.259499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.259499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.259499 (E_RNA) where: Base-Base interactions energy: -453.091 where: short stacking energy: -238.318 Base-Backbone interact. energy: 0.203 local terms energy: -340.371800 where: bonds (distance) C4'-P energy: -79.682 bonds (distance) P-C4' energy: -97.245 flat angles C4'-P-C4' energy: -70.351 flat angles P-C4'-P energy: -54.335 tors. eta vs tors. theta energy: -38.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -662.211171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.211171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.211171 (E_RNA) where: Base-Base interactions energy: -356.666 where: short stacking energy: -192.839 Base-Backbone interact. energy: -0.674 local terms energy: -304.870544 where: bonds (distance) C4'-P energy: -89.233 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -69.002 flat angles P-C4'-P energy: -45.925 tors. eta vs tors. theta energy: -19.634 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: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -477.300890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.300890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.300890 (E_RNA) where: Base-Base interactions energy: -218.812 where: short stacking energy: -139.119 Base-Backbone interact. energy: 4.498 local terms energy: -262.987430 where: bonds (distance) C4'-P energy: -70.064 bonds (distance) P-C4' energy: -87.705 flat angles C4'-P-C4' energy: -57.967 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: 2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -387.131694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.131694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.131694 (E_RNA) where: Base-Base interactions energy: -145.126 where: short stacking energy: -114.708 Base-Backbone interact. energy: 0.261 local terms energy: -242.267227 where: bonds (distance) C4'-P energy: -68.647 bonds (distance) P-C4' energy: -79.503 flat angles C4'-P-C4' energy: -63.704 flat angles P-C4'-P energy: -37.102 tors. eta vs tors. theta energy: 6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1541.830078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.830078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.830078 (E_RNA) where: Base-Base interactions energy: -1024.143 where: short stacking energy: -447.718 Base-Backbone interact. energy: -1.861 local terms energy: -515.826775 where: bonds (distance) C4'-P energy: -98.589 bonds (distance) P-C4' energy: -103.939 flat angles C4'-P-C4' energy: -111.689 flat angles P-C4'-P energy: -72.948 tors. eta vs tors. theta energy: -128.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1423.077177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.077177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.077177 (E_RNA) where: Base-Base interactions energy: -937.886 where: short stacking energy: -434.149 Base-Backbone interact. energy: -3.443 local terms energy: -481.748625 where: bonds (distance) C4'-P energy: -96.108 bonds (distance) P-C4' energy: -98.081 flat angles C4'-P-C4' energy: -98.208 flat angles P-C4'-P energy: -61.791 tors. eta vs tors. theta energy: -127.559 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: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1418.983770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.983770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.983770 (E_RNA) where: Base-Base interactions energy: -956.183 where: short stacking energy: -419.402 Base-Backbone interact. energy: -2.220 local terms energy: -460.580907 where: bonds (distance) C4'-P energy: -83.787 bonds (distance) P-C4' energy: -91.953 flat angles C4'-P-C4' energy: -101.176 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -125.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1283.227295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.227295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.227295 (E_RNA) where: Base-Base interactions energy: -824.242 where: short stacking energy: -374.547 Base-Backbone interact. energy: -0.116 local terms energy: -458.868902 where: bonds (distance) C4'-P energy: -91.488 bonds (distance) P-C4' energy: -88.217 flat angles C4'-P-C4' energy: -97.713 flat angles P-C4'-P energy: -65.743 tors. eta vs tors. theta energy: -115.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1248.466134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.466134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.466134 (E_RNA) where: Base-Base interactions energy: -815.860 where: short stacking energy: -378.660 Base-Backbone interact. energy: -0.768 local terms energy: -431.838269 where: bonds (distance) C4'-P energy: -83.248 bonds (distance) P-C4' energy: -82.679 flat angles C4'-P-C4' energy: -104.537 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -104.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1062.076323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.076323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.076323 (E_RNA) where: Base-Base interactions energy: -676.120 where: short stacking energy: -325.141 Base-Backbone interact. energy: -3.315 local terms energy: -382.640949 where: bonds (distance) C4'-P energy: -81.160 bonds (distance) P-C4' energy: -76.633 flat angles C4'-P-C4' energy: -90.512 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -70.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -771.737760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.737760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.737760 (E_RNA) where: Base-Base interactions energy: -432.605 where: short stacking energy: -214.480 Base-Backbone interact. energy: 0.054 local terms energy: -339.186798 where: bonds (distance) C4'-P energy: -87.145 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -90.887 flat angles P-C4'-P energy: -57.342 tors. eta vs tors. theta energy: -16.630 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: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -690.464063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.464063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.464063 (E_RNA) where: Base-Base interactions energy: -398.733 where: short stacking energy: -218.480 Base-Backbone interact. energy: 0.744 local terms energy: -292.475318 where: bonds (distance) C4'-P energy: -75.824 bonds (distance) P-C4' energy: -89.609 flat angles C4'-P-C4' energy: -70.793 flat angles P-C4'-P energy: -36.843 tors. eta vs tors. theta energy: -19.407 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: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -504.875984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.875984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.875984 (E_RNA) where: Base-Base interactions energy: -246.414 where: short stacking energy: -158.698 Base-Backbone interact. energy: 1.555 local terms energy: -260.016857 where: bonds (distance) C4'-P energy: -77.754 bonds (distance) P-C4' energy: -93.560 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -30.967 tors. eta vs tors. theta energy: 8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -381.724230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.724230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.724230 (E_RNA) where: Base-Base interactions energy: -127.879 where: short stacking energy: -96.324 Base-Backbone interact. energy: -2.019 local terms energy: -251.826823 where: bonds (distance) C4'-P energy: -71.661 bonds (distance) P-C4' energy: -81.171 flat angles C4'-P-C4' energy: -70.871 flat angles P-C4'-P energy: -36.641 tors. eta vs tors. theta energy: 8.517 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: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1556.788876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.788876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.788876 (E_RNA) where: Base-Base interactions energy: -1067.681 where: short stacking energy: -453.352 Base-Backbone interact. energy: -1.979 local terms energy: -487.128652 where: bonds (distance) C4'-P energy: -89.616 bonds (distance) P-C4' energy: -99.342 flat angles C4'-P-C4' energy: -101.111 flat angles P-C4'-P energy: -68.949 tors. eta vs tors. theta energy: -128.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1439.907325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.907325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.907325 (E_RNA) where: Base-Base interactions energy: -970.639 where: short stacking energy: -447.242 Base-Backbone interact. energy: 0.499 local terms energy: -469.767508 where: bonds (distance) C4'-P energy: -85.759 bonds (distance) P-C4' energy: -90.943 flat angles C4'-P-C4' energy: -97.767 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -136.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1393.882636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.882636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.882636 (E_RNA) where: Base-Base interactions energy: -914.393 where: short stacking energy: -416.727 Base-Backbone interact. energy: -1.052 local terms energy: -478.438142 where: bonds (distance) C4'-P energy: -100.490 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -99.682 flat angles P-C4'-P energy: -71.094 tors. eta vs tors. theta energy: -119.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1282.580922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.580922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.580922 (E_RNA) where: Base-Base interactions energy: -825.400 where: short stacking energy: -394.654 Base-Backbone interact. energy: 0.331 local terms energy: -457.512061 where: bonds (distance) C4'-P energy: -89.581 bonds (distance) P-C4' energy: -93.021 flat angles C4'-P-C4' energy: -97.899 flat angles P-C4'-P energy: -58.577 tors. eta vs tors. theta energy: -118.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1211.280934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.280934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.280934 (E_RNA) where: Base-Base interactions energy: -767.639 where: short stacking energy: -342.203 Base-Backbone interact. energy: -0.283 local terms energy: -443.359419 where: bonds (distance) C4'-P energy: -83.633 bonds (distance) P-C4' energy: -92.510 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: -94.979 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: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1038.625725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.625725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.625725 (E_RNA) where: Base-Base interactions energy: -663.126 where: short stacking energy: -310.311 Base-Backbone interact. energy: -0.463 local terms energy: -375.037240 where: bonds (distance) C4'-P energy: -90.510 bonds (distance) P-C4' energy: -89.086 flat angles C4'-P-C4' energy: -82.912 flat angles P-C4'-P energy: -46.701 tors. eta vs tors. theta energy: -65.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -850.485079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.485079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.485079 (E_RNA) where: Base-Base interactions energy: -509.212 where: short stacking energy: -245.756 Base-Backbone interact. energy: 1.729 local terms energy: -343.001856 where: bonds (distance) C4'-P energy: -75.934 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -87.258 flat angles P-C4'-P energy: -59.506 tors. eta vs tors. theta energy: -31.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -673.771964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.771964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.771964 (E_RNA) where: Base-Base interactions energy: -346.262 where: short stacking energy: -182.529 Base-Backbone interact. energy: -2.566 local terms energy: -324.944185 where: bonds (distance) C4'-P energy: -88.735 bonds (distance) P-C4' energy: -83.387 flat angles C4'-P-C4' energy: -75.462 flat angles P-C4'-P energy: -57.617 tors. eta vs tors. theta energy: -19.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -535.206713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.206713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.206713 (E_RNA) where: Base-Base interactions energy: -258.462 where: short stacking energy: -161.586 Base-Backbone interact. energy: -1.477 local terms energy: -275.267416 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -84.479 flat angles C4'-P-C4' energy: -67.233 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: 4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -383.246994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.246994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.246994 (E_RNA) where: Base-Base interactions energy: -105.559 where: short stacking energy: -94.225 Base-Backbone interact. energy: 0.934 local terms energy: -278.622527 where: bonds (distance) C4'-P energy: -68.360 bonds (distance) P-C4' energy: -94.235 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: 11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1558.507095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.507095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.507095 (E_RNA) where: Base-Base interactions energy: -1055.537 where: short stacking energy: -456.062 Base-Backbone interact. energy: -1.500 local terms energy: -501.469766 where: bonds (distance) C4'-P energy: -102.528 bonds (distance) P-C4' energy: -93.016 flat angles C4'-P-C4' energy: -113.751 flat angles P-C4'-P energy: -57.950 tors. eta vs tors. theta energy: -134.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1430.021162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.021162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.021162 (E_RNA) where: Base-Base interactions energy: -956.375 where: short stacking energy: -452.775 Base-Backbone interact. energy: -1.472 local terms energy: -472.173770 where: bonds (distance) C4'-P energy: -77.848 bonds (distance) P-C4' energy: -102.525 flat angles C4'-P-C4' energy: -98.561 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: -130.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1391.346681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.346681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.346681 (E_RNA) where: Base-Base interactions energy: -912.067 where: short stacking energy: -423.087 Base-Backbone interact. energy: -3.948 local terms energy: -475.332259 where: bonds (distance) C4'-P energy: -89.288 bonds (distance) P-C4' energy: -97.864 flat angles C4'-P-C4' energy: -100.389 flat angles P-C4'-P energy: -65.636 tors. eta vs tors. theta energy: -122.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1260.037068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.037068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.037068 (E_RNA) where: Base-Base interactions energy: -802.578 where: short stacking energy: -370.655 Base-Backbone interact. energy: 0.780 local terms energy: -458.239038 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -93.496 flat angles C4'-P-C4' energy: -96.266 flat angles P-C4'-P energy: -62.544 tors. eta vs tors. theta energy: -112.312 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: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1185.369432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.369432 (E_RNA) where: Base-Base interactions energy: -778.798 where: short stacking energy: -368.034 Base-Backbone interact. energy: -2.159 local terms energy: -404.412170 where: bonds (distance) C4'-P energy: -77.528 bonds (distance) P-C4' energy: -84.176 flat angles C4'-P-C4' energy: -85.017 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -93.751 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: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1050.113341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.113341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.113341 (E_RNA) where: Base-Base interactions energy: -681.986 where: short stacking energy: -324.753 Base-Backbone interact. energy: -0.965 local terms energy: -367.162098 where: bonds (distance) C4'-P energy: -77.995 bonds (distance) P-C4' energy: -78.051 flat angles C4'-P-C4' energy: -85.309 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -64.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -826.078049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.078049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.078049 (E_RNA) where: Base-Base interactions energy: -470.128 where: short stacking energy: -251.617 Base-Backbone interact. energy: -1.419 local terms energy: -354.531135 where: bonds (distance) C4'-P energy: -75.219 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -85.361 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: -54.678 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -715.237142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.237142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.237142 (E_RNA) where: Base-Base interactions energy: -410.230 where: short stacking energy: -230.408 Base-Backbone interact. energy: -0.234 local terms energy: -304.772327 where: bonds (distance) C4'-P energy: -68.393 bonds (distance) P-C4' energy: -69.392 flat angles C4'-P-C4' energy: -92.364 flat angles P-C4'-P energy: -49.645 tors. eta vs tors. theta energy: -24.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -576.956540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.956540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.956540 (E_RNA) where: Base-Base interactions energy: -275.322 where: short stacking energy: -170.237 Base-Backbone interact. energy: 4.050 local terms energy: -305.685122 where: bonds (distance) C4'-P energy: -86.722 bonds (distance) P-C4' energy: -86.626 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -9.992 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: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -418.106644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.106644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.106644 (E_RNA) where: Base-Base interactions energy: -175.352 where: short stacking energy: -113.091 Base-Backbone interact. energy: 1.446 local terms energy: -244.200354 where: bonds (distance) C4'-P energy: -77.827 bonds (distance) P-C4' energy: -89.780 flat angles C4'-P-C4' energy: -65.931 flat angles P-C4'-P energy: -31.375 tors. eta vs tors. theta energy: 20.713 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: 379 Temperature: 0.900000 Total energy: -1533.233157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.233157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.233157 (E_RNA) where: Base-Base interactions energy: -1048.819 where: short stacking energy: -461.048 Base-Backbone interact. energy: -1.236 local terms energy: -483.178605 where: bonds (distance) C4'-P energy: -73.776 bonds (distance) P-C4' energy: -95.849 flat angles C4'-P-C4' energy: -110.619 flat angles P-C4'-P energy: -73.656 tors. eta vs tors. theta energy: -129.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1389.057891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.057891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.057891 (E_RNA) where: Base-Base interactions energy: -908.763 where: short stacking energy: -431.516 Base-Backbone interact. energy: -1.049 local terms energy: -479.246066 where: bonds (distance) C4'-P energy: -91.547 bonds (distance) P-C4' energy: -92.731 flat angles C4'-P-C4' energy: -101.414 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -120.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1362.365117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.365117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.365117 (E_RNA) where: Base-Base interactions energy: -896.920 where: short stacking energy: -398.975 Base-Backbone interact. energy: 1.764 local terms energy: -467.209210 where: bonds (distance) C4'-P energy: -90.662 bonds (distance) P-C4' energy: -92.726 flat angles C4'-P-C4' energy: -104.777 flat angles P-C4'-P energy: -66.212 tors. eta vs tors. theta energy: -112.833 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: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1244.620509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.620509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.620509 (E_RNA) where: Base-Base interactions energy: -795.909 where: short stacking energy: -373.744 Base-Backbone interact. energy: -2.714 local terms energy: -445.997575 where: bonds (distance) C4'-P energy: -78.914 bonds (distance) P-C4' energy: -96.021 flat angles C4'-P-C4' energy: -103.600 flat angles P-C4'-P energy: -68.428 tors. eta vs tors. theta energy: -99.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1168.490782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.490782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.490782 (E_RNA) where: Base-Base interactions energy: -722.211 where: short stacking energy: -357.046 Base-Backbone interact. energy: -0.815 local terms energy: -445.464713 where: bonds (distance) C4'-P energy: -85.369 bonds (distance) P-C4' energy: -86.284 flat angles C4'-P-C4' energy: -95.978 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: -101.657 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: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1063.359474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.359474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.359474 (E_RNA) where: Base-Base interactions energy: -654.559 where: short stacking energy: -308.644 Base-Backbone interact. energy: 0.173 local terms energy: -408.973281 where: bonds (distance) C4'-P energy: -104.961 bonds (distance) P-C4' energy: -81.177 flat angles C4'-P-C4' energy: -86.635 flat angles P-C4'-P energy: -59.377 tors. eta vs tors. theta energy: -76.823 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: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -779.471404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.471404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.471404 (E_RNA) where: Base-Base interactions energy: -428.066 where: short stacking energy: -212.043 Base-Backbone interact. energy: -1.499 local terms energy: -349.906095 where: bonds (distance) C4'-P energy: -84.576 bonds (distance) P-C4' energy: -83.210 flat angles C4'-P-C4' energy: -96.009 flat angles P-C4'-P energy: -54.488 tors. eta vs tors. theta energy: -31.623 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: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -666.999019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.999019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.999019 (E_RNA) where: Base-Base interactions energy: -355.458 where: short stacking energy: -184.819 Base-Backbone interact. energy: 1.107 local terms energy: -312.647894 where: bonds (distance) C4'-P energy: -79.081 bonds (distance) P-C4' energy: -79.102 flat angles C4'-P-C4' energy: -74.500 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -33.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -532.128962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.128962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.128962 (E_RNA) where: Base-Base interactions energy: -236.430 where: short stacking energy: -139.270 Base-Backbone interact. energy: 1.007 local terms energy: -296.706056 where: bonds (distance) C4'-P energy: -67.122 bonds (distance) P-C4' energy: -99.760 flat angles C4'-P-C4' energy: -71.124 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -12.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -447.478120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.478120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.478120 (E_RNA) where: Base-Base interactions energy: -189.263 where: short stacking energy: -127.139 Base-Backbone interact. energy: 0.585 local terms energy: -258.801015 where: bonds (distance) C4'-P energy: -80.343 bonds (distance) P-C4' energy: -80.401 flat angles C4'-P-C4' energy: -76.347 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: 15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1532.498909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.498909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.498909 (E_RNA) where: Base-Base interactions energy: -1049.799 where: short stacking energy: -480.901 Base-Backbone interact. energy: 1.113 local terms energy: -483.812589 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -82.193 flat angles C4'-P-C4' energy: -107.381 flat angles P-C4'-P energy: -71.420 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: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1403.534180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.534180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.534180 (E_RNA) where: Base-Base interactions energy: -931.625 where: short stacking energy: -437.938 Base-Backbone interact. energy: -1.681 local terms energy: -470.228027 where: bonds (distance) C4'-P energy: -87.511 bonds (distance) P-C4' energy: -97.870 flat angles C4'-P-C4' energy: -100.171 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -131.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1332.451574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.451574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.451574 (E_RNA) where: Base-Base interactions energy: -863.066 where: short stacking energy: -396.775 Base-Backbone interact. energy: -0.423 local terms energy: -468.962080 where: bonds (distance) C4'-P energy: -92.587 bonds (distance) P-C4' energy: -98.664 flat angles C4'-P-C4' energy: -100.599 flat angles P-C4'-P energy: -67.095 tors. eta vs tors. theta energy: -110.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1244.537377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.537377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.537377 (E_RNA) where: Base-Base interactions energy: -809.331 where: short stacking energy: -390.746 Base-Backbone interact. energy: -1.676 local terms energy: -433.530150 where: bonds (distance) C4'-P energy: -81.618 bonds (distance) P-C4' energy: -85.754 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -62.514 tors. eta vs tors. theta energy: -110.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1137.925867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.925867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.925867 (E_RNA) where: Base-Base interactions energy: -726.981 where: short stacking energy: -343.045 Base-Backbone interact. energy: -0.528 local terms energy: -410.416894 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -93.304 flat angles C4'-P-C4' energy: -88.484 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: -90.625 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: 380 Temperature: 1.150000 Total energy: -1036.896442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.896442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.896442 (E_RNA) where: Base-Base interactions energy: -686.087 where: short stacking energy: -301.618 Base-Backbone interact. energy: 1.919 local terms energy: -352.728859 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -80.625 flat angles C4'-P-C4' energy: -85.949 flat angles P-C4'-P energy: -47.225 tors. eta vs tors. theta energy: -71.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -800.139707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.139707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.139707 (E_RNA) where: Base-Base interactions energy: -457.602 where: short stacking energy: -209.157 Base-Backbone interact. energy: 0.828 local terms energy: -343.365929 where: bonds (distance) C4'-P energy: -78.170 bonds (distance) P-C4' energy: -90.561 flat angles C4'-P-C4' energy: -85.253 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -37.125 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: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -657.384845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.384845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.384845 (E_RNA) where: Base-Base interactions energy: -341.868 where: short stacking energy: -197.967 Base-Backbone interact. energy: -2.328 local terms energy: -313.188019 where: bonds (distance) C4'-P energy: -69.515 bonds (distance) P-C4' energy: -89.568 flat angles C4'-P-C4' energy: -82.174 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -23.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -524.053118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.053118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.053118 (E_RNA) where: Base-Base interactions energy: -251.966 where: short stacking energy: -156.258 Base-Backbone interact. energy: -0.857 local terms energy: -271.229355 where: bonds (distance) C4'-P energy: -72.336 bonds (distance) P-C4' energy: -88.557 flat angles C4'-P-C4' energy: -73.528 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -461.420385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.420385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.420385 (E_RNA) where: Base-Base interactions energy: -213.740 where: short stacking energy: -116.633 Base-Backbone interact. energy: -0.854 local terms energy: -246.826593 where: bonds (distance) C4'-P energy: -79.341 bonds (distance) P-C4' energy: -75.112 flat angles C4'-P-C4' energy: -55.922 flat angles P-C4'-P energy: -31.131 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1547.451188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.451188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.451188 (E_RNA) where: Base-Base interactions energy: -1055.836 where: short stacking energy: -444.132 Base-Backbone interact. energy: -4.258 local terms energy: -487.357546 where: bonds (distance) C4'-P energy: -101.217 bonds (distance) P-C4' energy: -97.620 flat angles C4'-P-C4' energy: -104.772 flat angles P-C4'-P energy: -58.848 tors. eta vs tors. theta energy: -124.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1362.487168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.487168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.487168 (E_RNA) where: Base-Base interactions energy: -905.231 where: short stacking energy: -423.500 Base-Backbone interact. energy: -3.354 local terms energy: -453.902889 where: bonds (distance) C4'-P energy: -92.734 bonds (distance) P-C4' energy: -81.911 flat angles C4'-P-C4' energy: -92.126 flat angles P-C4'-P energy: -70.071 tors. eta vs tors. theta energy: -117.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1385.682479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.682479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.682479 (E_RNA) where: Base-Base interactions energy: -914.363 where: short stacking energy: -409.533 Base-Backbone interact. energy: -2.251 local terms energy: -469.069153 where: bonds (distance) C4'-P energy: -92.300 bonds (distance) P-C4' energy: -89.022 flat angles C4'-P-C4' energy: -103.278 flat angles P-C4'-P energy: -68.188 tors. eta vs tors. theta energy: -116.280 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: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1295.742879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.742879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.742879 (E_RNA) where: Base-Base interactions energy: -870.519 where: short stacking energy: -398.782 Base-Backbone interact. energy: -3.678 local terms energy: -421.546244 where: bonds (distance) C4'-P energy: -70.946 bonds (distance) P-C4' energy: -80.013 flat angles C4'-P-C4' energy: -83.765 flat angles P-C4'-P energy: -65.695 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: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1137.623064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.623064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.623064 (E_RNA) where: Base-Base interactions energy: -726.536 where: short stacking energy: -345.368 Base-Backbone interact. energy: -1.490 local terms energy: -409.597379 where: bonds (distance) C4'-P energy: -90.441 bonds (distance) P-C4' energy: -96.035 flat angles C4'-P-C4' energy: -93.688 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -78.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1088.299524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.299524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.299524 (E_RNA) where: Base-Base interactions energy: -698.685 where: short stacking energy: -318.339 Base-Backbone interact. energy: -2.445 local terms energy: -387.169295 where: bonds (distance) C4'-P energy: -81.036 bonds (distance) P-C4' energy: -83.693 flat angles C4'-P-C4' energy: -93.927 flat angles P-C4'-P energy: -53.484 tors. eta vs tors. theta energy: -75.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -814.003241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.003241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.003241 (E_RNA) where: Base-Base interactions energy: -474.327 where: short stacking energy: -262.189 Base-Backbone interact. energy: -1.336 local terms energy: -338.340613 where: bonds (distance) C4'-P energy: -89.026 bonds (distance) P-C4' energy: -77.707 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -48.538 tors. eta vs tors. theta energy: -49.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -686.528692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.528692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.528692 (E_RNA) where: Base-Base interactions energy: -355.713 where: short stacking energy: -202.331 Base-Backbone interact. energy: -2.035 local terms energy: -328.780093 where: bonds (distance) C4'-P energy: -83.357 bonds (distance) P-C4' energy: -75.622 flat angles C4'-P-C4' energy: -85.903 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -25.652 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: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -523.727150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.727150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.727150 (E_RNA) where: Base-Base interactions energy: -246.233 where: short stacking energy: -142.263 Base-Backbone interact. energy: -0.320 local terms energy: -277.174196 where: bonds (distance) C4'-P energy: -88.371 bonds (distance) P-C4' energy: -74.832 flat angles C4'-P-C4' energy: -67.764 flat angles P-C4'-P energy: -45.674 tors. eta vs tors. theta energy: -0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -482.720853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.720853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.720853 (E_RNA) where: Base-Base interactions energy: -225.995 where: short stacking energy: -125.791 Base-Backbone interact. energy: -3.593 local terms energy: -253.132630 where: bonds (distance) C4'-P energy: -80.655 bonds (distance) P-C4' energy: -62.849 flat angles C4'-P-C4' energy: -78.929 flat angles P-C4'-P energy: -32.658 tors. eta vs tors. theta energy: 1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1580.758838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.758838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.758838 (E_RNA) where: Base-Base interactions energy: -1079.763 where: short stacking energy: -467.228 Base-Backbone interact. energy: -0.166 local terms energy: -500.829862 where: bonds (distance) C4'-P energy: -87.124 bonds (distance) P-C4' energy: -97.037 flat angles C4'-P-C4' energy: -108.604 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -132.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1401.500885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.500885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.500885 (E_RNA) where: Base-Base interactions energy: -938.968 where: short stacking energy: -429.513 Base-Backbone interact. energy: 2.663 local terms energy: -465.195985 where: bonds (distance) C4'-P energy: -99.480 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -94.674 flat angles P-C4'-P energy: -60.893 tors. eta vs tors. theta energy: -117.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1408.377754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.377754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.377754 (E_RNA) where: Base-Base interactions energy: -954.687 where: short stacking energy: -416.363 Base-Backbone interact. energy: -2.689 local terms energy: -451.001460 where: bonds (distance) C4'-P energy: -94.395 bonds (distance) P-C4' energy: -96.018 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -111.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1282.644537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.644537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.644537 (E_RNA) where: Base-Base interactions energy: -835.466 where: short stacking energy: -392.606 Base-Backbone interact. energy: -2.886 local terms energy: -444.292086 where: bonds (distance) C4'-P energy: -77.551 bonds (distance) P-C4' energy: -103.936 flat angles C4'-P-C4' energy: -91.548 flat angles P-C4'-P energy: -59.209 tors. eta vs tors. theta energy: -112.049 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: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1138.063845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.063845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.063845 (E_RNA) where: Base-Base interactions energy: -740.414 where: short stacking energy: -341.507 Base-Backbone interact. energy: 1.162 local terms energy: -398.811288 where: bonds (distance) C4'-P energy: -80.561 bonds (distance) P-C4' energy: -80.723 flat angles C4'-P-C4' energy: -86.931 flat angles P-C4'-P energy: -65.541 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: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1091.063148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.063148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.063148 (E_RNA) where: Base-Base interactions energy: -694.032 where: short stacking energy: -323.587 Base-Backbone interact. energy: -0.877 local terms energy: -396.153538 where: bonds (distance) C4'-P energy: -102.163 bonds (distance) P-C4' energy: -91.916 flat angles C4'-P-C4' energy: -75.197 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -79.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -818.823195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.823195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.823195 (E_RNA) where: Base-Base interactions energy: -462.656 where: short stacking energy: -248.259 Base-Backbone interact. energy: 0.094 local terms energy: -356.261708 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -89.881 flat angles C4'-P-C4' energy: -77.795 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: -44.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -766.425526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.425526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.425526 (E_RNA) where: Base-Base interactions energy: -457.356 where: short stacking energy: -222.292 Base-Backbone interact. energy: -0.812 local terms energy: -308.257583 where: bonds (distance) C4'-P energy: -84.140 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -50.564 tors. eta vs tors. theta energy: -31.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -501.448900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.448900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.448900 (E_RNA) where: Base-Base interactions energy: -241.322 where: short stacking energy: -145.761 Base-Backbone interact. energy: -0.434 local terms energy: -259.692714 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -85.793 flat angles C4'-P-C4' energy: -75.857 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: -0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -399.587045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.587045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.587045 (E_RNA) where: Base-Base interactions energy: -163.831 where: short stacking energy: -94.271 Base-Backbone interact. energy: 0.001 local terms energy: -235.757038 where: bonds (distance) C4'-P energy: -66.030 bonds (distance) P-C4' energy: -68.204 flat angles C4'-P-C4' energy: -86.412 flat angles P-C4'-P energy: -35.083 tors. eta vs tors. theta energy: 19.973 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: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1557.356194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.356194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.356194 (E_RNA) where: Base-Base interactions energy: -1058.317 where: short stacking energy: -442.065 Base-Backbone interact. energy: 1.514 local terms energy: -500.553079 where: bonds (distance) C4'-P energy: -87.787 bonds (distance) P-C4' energy: -98.350 flat angles C4'-P-C4' energy: -113.462 flat angles P-C4'-P energy: -69.437 tors. eta vs tors. theta energy: -131.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1378.363432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.363432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.363432 (E_RNA) where: Base-Base interactions energy: -880.614 where: short stacking energy: -414.625 Base-Backbone interact. energy: -0.552 local terms energy: -497.197913 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -104.325 flat angles C4'-P-C4' energy: -111.722 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -118.942 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: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1382.610927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.610927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.610927 (E_RNA) where: Base-Base interactions energy: -926.702 where: short stacking energy: -401.709 Base-Backbone interact. energy: -2.114 local terms energy: -453.795600 where: bonds (distance) C4'-P energy: -90.600 bonds (distance) P-C4' energy: -91.175 flat angles C4'-P-C4' energy: -85.323 flat angles P-C4'-P energy: -66.982 tors. eta vs tors. theta energy: -119.716 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: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1263.384899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.384899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.384899 (E_RNA) where: Base-Base interactions energy: -809.466 where: short stacking energy: -371.325 Base-Backbone interact. energy: -5.918 local terms energy: -448.001608 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -93.432 flat angles C4'-P-C4' energy: -97.287 flat angles P-C4'-P energy: -57.240 tors. eta vs tors. theta energy: -98.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1099.625400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.625400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.625400 (E_RNA) where: Base-Base interactions energy: -684.977 where: short stacking energy: -292.351 Base-Backbone interact. energy: -0.718 local terms energy: -413.930216 where: bonds (distance) C4'-P energy: -86.810 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -102.409 flat angles P-C4'-P energy: -68.031 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: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1049.581502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.581502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.581502 (E_RNA) where: Base-Base interactions energy: -656.343 where: short stacking energy: -313.687 Base-Backbone interact. energy: -2.923 local terms energy: -390.314991 where: bonds (distance) C4'-P energy: -80.016 bonds (distance) P-C4' energy: -95.351 flat angles C4'-P-C4' energy: -88.908 flat angles P-C4'-P energy: -44.854 tors. eta vs tors. theta energy: -81.187 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: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -855.545019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.545019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.545019 (E_RNA) where: Base-Base interactions energy: -517.295 where: short stacking energy: -259.847 Base-Backbone interact. energy: 1.482 local terms energy: -339.731843 where: bonds (distance) C4'-P energy: -77.674 bonds (distance) P-C4' energy: -87.391 flat angles C4'-P-C4' energy: -82.753 flat angles P-C4'-P energy: -52.416 tors. eta vs tors. theta energy: -39.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -749.665630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.665630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.665630 (E_RNA) where: Base-Base interactions energy: -424.849 where: short stacking energy: -206.298 Base-Backbone interact. energy: 1.231 local terms energy: -326.047670 where: bonds (distance) C4'-P energy: -84.809 bonds (distance) P-C4' energy: -84.951 flat angles C4'-P-C4' energy: -83.526 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -26.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -493.593200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.593200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.593200 (E_RNA) where: Base-Base interactions energy: -229.750 where: short stacking energy: -156.746 Base-Backbone interact. energy: -1.505 local terms energy: -262.338303 where: bonds (distance) C4'-P energy: -73.410 bonds (distance) P-C4' energy: -74.761 flat angles C4'-P-C4' energy: -64.444 flat angles P-C4'-P energy: -48.504 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -365.308656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.308656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.308656 (E_RNA) where: Base-Base interactions energy: -128.615 where: short stacking energy: -121.451 Base-Backbone interact. energy: 1.121 local terms energy: -237.814663 where: bonds (distance) C4'-P energy: -79.056 bonds (distance) P-C4' energy: -85.268 flat angles C4'-P-C4' energy: -46.927 flat angles P-C4'-P energy: -40.307 tors. eta vs tors. theta energy: 13.743 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: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1547.978371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.978371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.978371 (E_RNA) where: Base-Base interactions energy: -1050.278 where: short stacking energy: -447.700 Base-Backbone interact. energy: -5.463 local terms energy: -492.237920 where: bonds (distance) C4'-P energy: -93.845 bonds (distance) P-C4' energy: -104.763 flat angles C4'-P-C4' energy: -108.511 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -126.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1361.186629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.186629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.186629 (E_RNA) where: Base-Base interactions energy: -874.323 where: short stacking energy: -413.009 Base-Backbone interact. energy: -0.388 local terms energy: -486.475811 where: bonds (distance) C4'-P energy: -95.630 bonds (distance) P-C4' energy: -92.501 flat angles C4'-P-C4' energy: -103.240 flat angles P-C4'-P energy: -73.734 tors. eta vs tors. theta energy: -121.371 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: 384 Temperature: 1.000000 Total energy: -1386.305343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.305343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.305343 (E_RNA) where: Base-Base interactions energy: -932.577 where: short stacking energy: -429.849 Base-Backbone interact. energy: -1.969 local terms energy: -451.759193 where: bonds (distance) C4'-P energy: -95.977 bonds (distance) P-C4' energy: -86.344 flat angles C4'-P-C4' energy: -94.214 flat angles P-C4'-P energy: -60.356 tors. eta vs tors. theta energy: -114.869 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: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1282.011674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.011674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.011674 (E_RNA) where: Base-Base interactions energy: -842.854 where: short stacking energy: -393.244 Base-Backbone interact. energy: -2.433 local terms energy: -436.724627 where: bonds (distance) C4'-P energy: -91.513 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -97.913 flat angles P-C4'-P energy: -63.758 tors. eta vs tors. theta energy: -111.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1097.903191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.903191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.903191 (E_RNA) where: Base-Base interactions energy: -690.490 where: short stacking energy: -316.580 Base-Backbone interact. energy: -0.673 local terms energy: -406.739742 where: bonds (distance) C4'-P energy: -73.260 bonds (distance) P-C4' energy: -102.510 flat angles C4'-P-C4' energy: -95.915 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -79.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -998.127693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.127693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.127693 (E_RNA) where: Base-Base interactions energy: -616.180 where: short stacking energy: -290.615 Base-Backbone interact. energy: 9.768 local terms energy: -391.715367 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -91.804 flat angles C4'-P-C4' energy: -92.932 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -73.404 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: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -800.222126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.222126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.222126 (E_RNA) where: Base-Base interactions energy: -476.446 where: short stacking energy: -245.749 Base-Backbone interact. energy: -2.194 local terms energy: -321.581815 where: bonds (distance) C4'-P energy: -69.254 bonds (distance) P-C4' energy: -89.897 flat angles C4'-P-C4' energy: -80.925 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -36.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -732.683866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.683866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.683866 (E_RNA) where: Base-Base interactions energy: -412.339 where: short stacking energy: -213.870 Base-Backbone interact. energy: 3.987 local terms energy: -324.331474 where: bonds (distance) C4'-P energy: -80.199 bonds (distance) P-C4' energy: -93.065 flat angles C4'-P-C4' energy: -68.302 flat angles P-C4'-P energy: -57.553 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: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -598.095472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.095472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.095472 (E_RNA) where: Base-Base interactions energy: -308.962 where: short stacking energy: -169.564 Base-Backbone interact. energy: -0.223 local terms energy: -288.910945 where: bonds (distance) C4'-P energy: -85.487 bonds (distance) P-C4' energy: -75.192 flat angles C4'-P-C4' energy: -77.813 flat angles P-C4'-P energy: -38.065 tors. eta vs tors. theta energy: -12.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -367.155529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.155529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.155529 (E_RNA) where: Base-Base interactions energy: -121.775 where: short stacking energy: -87.779 Base-Backbone interact. energy: 0.193 local terms energy: -245.573453 where: bonds (distance) C4'-P energy: -83.997 bonds (distance) P-C4' energy: -79.075 flat angles C4'-P-C4' energy: -58.799 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: 19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1557.067103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.067103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.067103 (E_RNA) where: Base-Base interactions energy: -1053.275 where: short stacking energy: -467.475 Base-Backbone interact. energy: -0.709 local terms energy: -503.083180 where: bonds (distance) C4'-P energy: -87.398 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -109.553 flat angles P-C4'-P energy: -79.413 tors. eta vs tors. theta energy: -131.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1443.419703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.419703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.419703 (E_RNA) where: Base-Base interactions energy: -980.263 where: short stacking energy: -438.406 Base-Backbone interact. energy: 2.662 local terms energy: -465.819445 where: bonds (distance) C4'-P energy: -98.243 bonds (distance) P-C4' energy: -91.797 flat angles C4'-P-C4' energy: -97.627 flat angles P-C4'-P energy: -64.019 tors. eta vs tors. theta energy: -114.133 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: 385 Temperature: 1.000000 Total energy: -1342.300282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.300282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.300282 (E_RNA) where: Base-Base interactions energy: -857.723 where: short stacking energy: -414.425 Base-Backbone interact. energy: -0.168 local terms energy: -484.409894 where: bonds (distance) C4'-P energy: -83.242 bonds (distance) P-C4' energy: -105.522 flat angles C4'-P-C4' energy: -105.756 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -123.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1313.031711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.031711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.031711 (E_RNA) where: Base-Base interactions energy: -859.206 where: short stacking energy: -409.952 Base-Backbone interact. energy: -1.269 local terms energy: -452.556567 where: bonds (distance) C4'-P energy: -90.805 bonds (distance) P-C4' energy: -82.337 flat angles C4'-P-C4' energy: -102.853 flat angles P-C4'-P energy: -63.389 tors. eta vs tors. theta energy: -113.173 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: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1107.175377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.175377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.175377 (E_RNA) where: Base-Base interactions energy: -706.719 where: short stacking energy: -330.407 Base-Backbone interact. energy: -2.618 local terms energy: -397.838157 where: bonds (distance) C4'-P energy: -84.997 bonds (distance) P-C4' energy: -85.139 flat angles C4'-P-C4' energy: -84.683 flat angles P-C4'-P energy: -60.383 tors. eta vs tors. theta energy: -82.637 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: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -995.506165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.506165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.506165 (E_RNA) where: Base-Base interactions energy: -620.096 where: short stacking energy: -295.323 Base-Backbone interact. energy: -0.527 local terms energy: -374.883421 where: bonds (distance) C4'-P energy: -63.732 bonds (distance) P-C4' energy: -81.242 flat angles C4'-P-C4' energy: -94.594 flat angles P-C4'-P energy: -61.059 tors. eta vs tors. theta energy: -74.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -902.115689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.115689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.115689 (E_RNA) where: Base-Base interactions energy: -543.635 where: short stacking energy: -260.782 Base-Backbone interact. energy: -2.722 local terms energy: -355.758966 where: bonds (distance) C4'-P energy: -94.473 bonds (distance) P-C4' energy: -86.528 flat angles C4'-P-C4' energy: -76.344 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -43.442 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: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -704.606720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.606720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.606720 (E_RNA) where: Base-Base interactions energy: -391.764 where: short stacking energy: -211.880 Base-Backbone interact. energy: -0.359 local terms energy: -312.483534 where: bonds (distance) C4'-P energy: -78.918 bonds (distance) P-C4' energy: -99.312 flat angles C4'-P-C4' energy: -64.175 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -24.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -568.748364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.748364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.748364 (E_RNA) where: Base-Base interactions energy: -306.078 where: short stacking energy: -161.308 Base-Backbone interact. energy: -1.381 local terms energy: -261.289936 where: bonds (distance) C4'-P energy: -79.126 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -57.855 flat angles P-C4'-P energy: -45.227 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -378.055435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.055435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.055435 (E_RNA) where: Base-Base interactions energy: -124.414 where: short stacking energy: -106.057 Base-Backbone interact. energy: 2.843 local terms energy: -256.484513 where: bonds (distance) C4'-P energy: -86.077 bonds (distance) P-C4' energy: -74.171 flat angles C4'-P-C4' energy: -72.209 flat angles P-C4'-P energy: -33.452 tors. eta vs tors. theta energy: 9.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1505.776260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.776260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.776260 (E_RNA) where: Base-Base interactions energy: -1014.602 where: short stacking energy: -445.127 Base-Backbone interact. energy: -3.350 local terms energy: -487.824715 where: bonds (distance) C4'-P energy: -99.654 bonds (distance) P-C4' energy: -98.075 flat angles C4'-P-C4' energy: -107.980 flat angles P-C4'-P energy: -58.385 tors. eta vs tors. theta energy: -123.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1411.140998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.140998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.140998 (E_RNA) where: Base-Base interactions energy: -930.312 where: short stacking energy: -408.748 Base-Backbone interact. energy: -3.119 local terms energy: -477.709892 where: bonds (distance) C4'-P energy: -84.202 bonds (distance) P-C4' energy: -98.100 flat angles C4'-P-C4' energy: -101.611 flat angles P-C4'-P energy: -75.680 tors. eta vs tors. theta energy: -118.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1330.697017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.697017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.697017 (E_RNA) where: Base-Base interactions energy: -871.343 where: short stacking energy: -391.399 Base-Backbone interact. energy: -3.997 local terms energy: -455.357151 where: bonds (distance) C4'-P energy: -97.888 bonds (distance) P-C4' energy: -88.473 flat angles C4'-P-C4' energy: -99.620 flat angles P-C4'-P energy: -68.562 tors. eta vs tors. theta energy: -100.814 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: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1282.015383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.015383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.015383 (E_RNA) where: Base-Base interactions energy: -843.681 where: short stacking energy: -400.424 Base-Backbone interact. energy: -1.261 local terms energy: -437.073106 where: bonds (distance) C4'-P energy: -90.157 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -84.927 flat angles P-C4'-P energy: -60.909 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: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1129.584175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.584175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.584175 (E_RNA) where: Base-Base interactions energy: -705.900 where: short stacking energy: -347.404 Base-Backbone interact. energy: -1.253 local terms energy: -422.430878 where: bonds (distance) C4'-P energy: -99.138 bonds (distance) P-C4' energy: -87.899 flat angles C4'-P-C4' energy: -88.495 flat angles P-C4'-P energy: -64.342 tors. eta vs tors. theta energy: -82.556 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: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -981.848019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.848019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.848019 (E_RNA) where: Base-Base interactions energy: -601.632 where: short stacking energy: -278.921 Base-Backbone interact. energy: 2.699 local terms energy: -382.915169 where: bonds (distance) C4'-P energy: -68.309 bonds (distance) P-C4' energy: -94.229 flat angles C4'-P-C4' energy: -97.537 flat angles P-C4'-P energy: -71.033 tors. eta vs tors. theta energy: -51.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -833.511487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.511487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.511487 (E_RNA) where: Base-Base interactions energy: -517.203 where: short stacking energy: -246.139 Base-Backbone interact. energy: 2.772 local terms energy: -319.080736 where: bonds (distance) C4'-P energy: -88.510 bonds (distance) P-C4' energy: -92.492 flat angles C4'-P-C4' energy: -65.737 flat angles P-C4'-P energy: -53.176 tors. eta vs tors. theta energy: -19.165 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: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -734.946878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.946878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.946878 (E_RNA) where: Base-Base interactions energy: -418.792 where: short stacking energy: -209.480 Base-Backbone interact. energy: -1.556 local terms energy: -314.599071 where: bonds (distance) C4'-P energy: -69.080 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -87.795 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -27.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -599.722614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.722614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.722614 (E_RNA) where: Base-Base interactions energy: -303.607 where: short stacking energy: -160.750 Base-Backbone interact. energy: 0.534 local terms energy: -296.649476 where: bonds (distance) C4'-P energy: -89.980 bonds (distance) P-C4' energy: -85.106 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -34.314 tors. eta vs tors. theta energy: -20.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -356.043503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.043503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.043503 (E_RNA) where: Base-Base interactions energy: -126.742 where: short stacking energy: -111.551 Base-Backbone interact. energy: 0.312 local terms energy: -229.613608 where: bonds (distance) C4'-P energy: -70.992 bonds (distance) P-C4' energy: -88.779 flat angles C4'-P-C4' energy: -53.023 flat angles P-C4'-P energy: -29.269 tors. eta vs tors. theta energy: 12.449 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: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1527.246623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.246623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.246623 (E_RNA) where: Base-Base interactions energy: -1052.230 where: short stacking energy: -471.238 Base-Backbone interact. energy: 0.968 local terms energy: -475.984392 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -82.283 flat angles C4'-P-C4' energy: -103.089 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -130.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1410.972819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.972819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.972819 (E_RNA) where: Base-Base interactions energy: -937.104 where: short stacking energy: -423.518 Base-Backbone interact. energy: -4.425 local terms energy: -469.443690 where: bonds (distance) C4'-P energy: -86.653 bonds (distance) P-C4' energy: -92.213 flat angles C4'-P-C4' energy: -102.815 flat angles P-C4'-P energy: -71.224 tors. eta vs tors. theta energy: -116.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1405.212786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.212786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.212786 (E_RNA) where: Base-Base interactions energy: -939.442 where: short stacking energy: -434.737 Base-Backbone interact. energy: -3.467 local terms energy: -462.304479 where: bonds (distance) C4'-P energy: -86.851 bonds (distance) P-C4' energy: -89.575 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -67.492 tors. eta vs tors. theta energy: -119.048 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: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1253.974900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.974900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.974900 (E_RNA) where: Base-Base interactions energy: -847.743 where: short stacking energy: -373.674 Base-Backbone interact. energy: 0.527 local terms energy: -406.759244 where: bonds (distance) C4'-P energy: -76.417 bonds (distance) P-C4' energy: -88.191 flat angles C4'-P-C4' energy: -87.763 flat angles P-C4'-P energy: -66.746 tors. eta vs tors. theta energy: -87.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1108.130026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.130026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.130026 (E_RNA) where: Base-Base interactions energy: -711.589 where: short stacking energy: -333.476 Base-Backbone interact. energy: -2.279 local terms energy: -394.261677 where: bonds (distance) C4'-P energy: -89.194 bonds (distance) P-C4' energy: -80.467 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -55.053 tors. eta vs tors. theta energy: -87.696 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: 6, replica: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -979.048609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.048609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.048609 (E_RNA) where: Base-Base interactions energy: -574.683 where: short stacking energy: -289.708 Base-Backbone interact. energy: -0.745 local terms energy: -403.619894 where: bonds (distance) C4'-P energy: -81.130 bonds (distance) P-C4' energy: -94.626 flat angles C4'-P-C4' energy: -94.005 flat angles P-C4'-P energy: -57.340 tors. eta vs tors. theta energy: -76.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -842.997941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.997941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.997941 (E_RNA) where: Base-Base interactions energy: -531.925 where: short stacking energy: -248.254 Base-Backbone interact. energy: -0.943 local terms energy: -310.129745 where: bonds (distance) C4'-P energy: -79.796 bonds (distance) P-C4' energy: -78.443 flat angles C4'-P-C4' energy: -73.449 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -33.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -777.906371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.906371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.906371 (E_RNA) where: Base-Base interactions energy: -455.903 where: short stacking energy: -228.786 Base-Backbone interact. energy: -0.865 local terms energy: -321.139018 where: bonds (distance) C4'-P energy: -84.241 bonds (distance) P-C4' energy: -71.669 flat angles C4'-P-C4' energy: -73.266 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -41.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -604.234057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.234057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.234057 (E_RNA) where: Base-Base interactions energy: -335.735 where: short stacking energy: -194.788 Base-Backbone interact. energy: -1.094 local terms energy: -267.405099 where: bonds (distance) C4'-P energy: -68.427 bonds (distance) P-C4' energy: -73.987 flat angles C4'-P-C4' energy: -77.823 flat angles P-C4'-P energy: -25.341 tors. eta vs tors. theta energy: -21.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -386.687098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.687098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.687098 (E_RNA) where: Base-Base interactions energy: -132.762 where: short stacking energy: -119.605 Base-Backbone interact. energy: 1.168 local terms energy: -255.093551 where: bonds (distance) C4'-P energy: -72.310 bonds (distance) P-C4' energy: -83.161 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: 14.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1552.999684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.999684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.999684 (E_RNA) where: Base-Base interactions energy: -1060.019 where: short stacking energy: -467.948 Base-Backbone interact. energy: -1.297 local terms energy: -491.684365 where: bonds (distance) C4'-P energy: -96.937 bonds (distance) P-C4' energy: -95.006 flat angles C4'-P-C4' energy: -99.811 flat angles P-C4'-P energy: -58.520 tors. eta vs tors. theta energy: -141.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1399.430861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.430861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.430861 (E_RNA) where: Base-Base interactions energy: -906.475 where: short stacking energy: -403.007 Base-Backbone interact. energy: -3.537 local terms energy: -489.418737 where: bonds (distance) C4'-P energy: -97.356 bonds (distance) P-C4' energy: -95.099 flat angles C4'-P-C4' energy: -114.170 flat angles P-C4'-P energy: -66.737 tors. eta vs tors. theta energy: -116.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1405.802928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.802928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.802928 (E_RNA) where: Base-Base interactions energy: -937.758 where: short stacking energy: -400.303 Base-Backbone interact. energy: -0.845 local terms energy: -467.200403 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -95.100 flat angles C4'-P-C4' energy: -95.265 flat angles P-C4'-P energy: -67.555 tors. eta vs tors. theta energy: -116.308 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: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1320.161507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.161507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.161507 (E_RNA) where: Base-Base interactions energy: -862.747 where: short stacking energy: -381.950 Base-Backbone interact. energy: -2.529 local terms energy: -454.885515 where: bonds (distance) C4'-P energy: -100.954 bonds (distance) P-C4' energy: -88.108 flat angles C4'-P-C4' energy: -93.070 flat angles P-C4'-P energy: -64.824 tors. eta vs tors. theta energy: -107.929 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: 388 Temperature: 1.100000 Total energy: -1094.191947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.191947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.191947 (E_RNA) where: Base-Base interactions energy: -688.789 where: short stacking energy: -328.253 Base-Backbone interact. energy: -4.471 local terms energy: -400.931021 where: bonds (distance) C4'-P energy: -97.247 bonds (distance) P-C4' energy: -90.804 flat angles C4'-P-C4' energy: -89.399 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: -84.231 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: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -993.927683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.927683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.927683 (E_RNA) where: Base-Base interactions energy: -624.364 where: short stacking energy: -326.921 Base-Backbone interact. energy: 0.586 local terms energy: -370.150204 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -70.946 flat angles P-C4'-P energy: -60.895 tors. eta vs tors. theta energy: -73.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -833.250448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.250448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.250448 (E_RNA) where: Base-Base interactions energy: -502.131 where: short stacking energy: -253.596 Base-Backbone interact. energy: -3.685 local terms energy: -327.435029 where: bonds (distance) C4'-P energy: -81.716 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -73.241 flat angles P-C4'-P energy: -55.898 tors. eta vs tors. theta energy: -38.272 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: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -740.025089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.025089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.025089 (E_RNA) where: Base-Base interactions energy: -422.394 where: short stacking energy: -202.294 Base-Backbone interact. energy: 1.048 local terms energy: -318.679116 where: bonds (distance) C4'-P energy: -85.361 bonds (distance) P-C4' energy: -83.044 flat angles C4'-P-C4' energy: -83.727 flat angles P-C4'-P energy: -36.367 tors. eta vs tors. theta energy: -30.181 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: 388 Temperature: 1.300000 Total energy: -566.509717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.509717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.509717 (E_RNA) where: Base-Base interactions energy: -282.801 where: short stacking energy: -168.497 Base-Backbone interact. energy: 4.284 local terms energy: -287.992833 where: bonds (distance) C4'-P energy: -69.125 bonds (distance) P-C4' energy: -81.710 flat angles C4'-P-C4' energy: -67.145 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -28.548 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: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -373.751530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.751530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.751530 (E_RNA) where: Base-Base interactions energy: -130.736 where: short stacking energy: -125.448 Base-Backbone interact. energy: 0.794 local terms energy: -243.809182 where: bonds (distance) C4'-P energy: -75.748 bonds (distance) P-C4' energy: -79.715 flat angles C4'-P-C4' energy: -56.444 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: 13.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1535.546823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.546823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.546823 (E_RNA) where: Base-Base interactions energy: -1033.424 where: short stacking energy: -427.914 Base-Backbone interact. energy: -4.232 local terms energy: -497.890829 where: bonds (distance) C4'-P energy: -96.659 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -110.878 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -129.513 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: 389 Temperature: 0.950000 Total energy: -1427.081443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.081443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.081443 (E_RNA) where: Base-Base interactions energy: -947.737 where: short stacking energy: -416.366 Base-Backbone interact. energy: 1.373 local terms energy: -480.716979 where: bonds (distance) C4'-P energy: -90.997 bonds (distance) P-C4' energy: -99.426 flat angles C4'-P-C4' energy: -92.739 flat angles P-C4'-P energy: -67.725 tors. eta vs tors. theta energy: -129.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1361.618251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.618251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.618251 (E_RNA) where: Base-Base interactions energy: -938.611 where: short stacking energy: -413.217 Base-Backbone interact. energy: -4.623 local terms energy: -418.384190 where: bonds (distance) C4'-P energy: -60.286 bonds (distance) P-C4' energy: -90.873 flat angles C4'-P-C4' energy: -95.951 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: -107.363 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: 389 Temperature: 1.050000 Total energy: -1341.878896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.878896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.878896 (E_RNA) where: Base-Base interactions energy: -885.283 where: short stacking energy: -384.405 Base-Backbone interact. energy: -1.821 local terms energy: -454.774641 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -94.542 flat angles C4'-P-C4' energy: -100.299 flat angles P-C4'-P energy: -74.730 tors. eta vs tors. theta energy: -109.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1097.782457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.782457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.782457 (E_RNA) where: Base-Base interactions energy: -702.449 where: short stacking energy: -324.009 Base-Backbone interact. energy: -2.809 local terms energy: -392.524508 where: bonds (distance) C4'-P energy: -75.561 bonds (distance) P-C4' energy: -90.972 flat angles C4'-P-C4' energy: -99.347 flat angles P-C4'-P energy: -58.152 tors. eta vs tors. theta energy: -68.492 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: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1077.599509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.599509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.599509 (E_RNA) where: Base-Base interactions energy: -725.311 where: short stacking energy: -342.076 Base-Backbone interact. energy: -3.538 local terms energy: -348.750903 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -76.160 flat angles C4'-P-C4' energy: -69.239 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -80.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -905.056347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.056347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.056347 (E_RNA) where: Base-Base interactions energy: -544.274 where: short stacking energy: -243.277 Base-Backbone interact. energy: -2.611 local terms energy: -358.170747 where: bonds (distance) C4'-P energy: -73.839 bonds (distance) P-C4' energy: -94.474 flat angles C4'-P-C4' energy: -79.118 flat angles P-C4'-P energy: -55.575 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: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -712.368990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.368990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.368990 (E_RNA) where: Base-Base interactions energy: -445.994 where: short stacking energy: -218.796 Base-Backbone interact. energy: 1.170 local terms energy: -267.544718 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -84.044 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -15.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -587.472834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.472834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.472834 (E_RNA) where: Base-Base interactions energy: -304.475 where: short stacking energy: -186.703 Base-Backbone interact. energy: 2.601 local terms energy: -285.599444 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -77.963 flat angles P-C4'-P energy: -34.362 tors. eta vs tors. theta energy: -11.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -383.009090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.009090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.009090 (E_RNA) where: Base-Base interactions energy: -109.083 where: short stacking energy: -90.126 Base-Backbone interact. energy: 2.709 local terms energy: -276.634922 where: bonds (distance) C4'-P energy: -85.167 bonds (distance) P-C4' energy: -85.114 flat angles C4'-P-C4' energy: -78.846 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: 27.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1565.280224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.280224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.280224 (E_RNA) where: Base-Base interactions energy: -1090.354 where: short stacking energy: -462.296 Base-Backbone interact. energy: 9.804 local terms energy: -484.730253 where: bonds (distance) C4'-P energy: -81.627 bonds (distance) P-C4' energy: -85.295 flat angles C4'-P-C4' energy: -109.861 flat angles P-C4'-P energy: -71.265 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: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1441.378820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.378820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.378820 (E_RNA) where: Base-Base interactions energy: -969.822 where: short stacking energy: -427.062 Base-Backbone interact. energy: -1.790 local terms energy: -469.766273 where: bonds (distance) C4'-P energy: -95.087 bonds (distance) P-C4' energy: -84.083 flat angles C4'-P-C4' energy: -109.681 flat angles P-C4'-P energy: -59.637 tors. eta vs tors. theta energy: -121.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1322.158966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.158966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.158966 (E_RNA) where: Base-Base interactions energy: -877.570 where: short stacking energy: -390.888 Base-Backbone interact. energy: -4.028 local terms energy: -440.561476 where: bonds (distance) C4'-P energy: -76.809 bonds (distance) P-C4' energy: -87.805 flat angles C4'-P-C4' energy: -107.372 flat angles P-C4'-P energy: -55.703 tors. eta vs tors. theta energy: -112.872 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: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1285.067262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.067262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.067262 (E_RNA) where: Base-Base interactions energy: -860.707 where: short stacking energy: -394.808 Base-Backbone interact. energy: -0.985 local terms energy: -423.374970 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -82.831 flat angles C4'-P-C4' energy: -95.256 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -108.897 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: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1142.847944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.847944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.847944 (E_RNA) where: Base-Base interactions energy: -708.829 where: short stacking energy: -321.850 Base-Backbone interact. energy: -0.460 local terms energy: -433.559005 where: bonds (distance) C4'-P energy: -94.275 bonds (distance) P-C4' energy: -93.122 flat angles C4'-P-C4' energy: -93.510 flat angles P-C4'-P energy: -58.253 tors. eta vs tors. theta energy: -94.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1047.237465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.237465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.237465 (E_RNA) where: Base-Base interactions energy: -667.209 where: short stacking energy: -303.605 Base-Backbone interact. energy: -0.467 local terms energy: -379.560890 where: bonds (distance) C4'-P energy: -89.114 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -86.590 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: -54.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -923.302002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.302002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.302002 (E_RNA) where: Base-Base interactions energy: -569.243 where: short stacking energy: -269.422 Base-Backbone interact. energy: -0.669 local terms energy: -353.389601 where: bonds (distance) C4'-P energy: -80.529 bonds (distance) P-C4' energy: -101.161 flat angles C4'-P-C4' energy: -65.812 flat angles P-C4'-P energy: -55.940 tors. eta vs tors. theta energy: -49.948 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: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -723.676051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.676051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.676051 (E_RNA) where: Base-Base interactions energy: -411.177 where: short stacking energy: -219.549 Base-Backbone interact. energy: -1.162 local terms energy: -311.337597 where: bonds (distance) C4'-P energy: -75.201 bonds (distance) P-C4' energy: -84.083 flat angles C4'-P-C4' energy: -75.042 flat angles P-C4'-P energy: -41.256 tors. eta vs tors. theta energy: -35.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -578.903330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.903330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.903330 (E_RNA) where: Base-Base interactions energy: -286.301 where: short stacking energy: -160.133 Base-Backbone interact. energy: -2.704 local terms energy: -289.898750 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -90.919 flat angles C4'-P-C4' energy: -76.451 flat angles P-C4'-P energy: -41.966 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: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -404.135769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.135769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.135769 (E_RNA) where: Base-Base interactions energy: -142.858 where: short stacking energy: -122.828 Base-Backbone interact. energy: 0.420 local terms energy: -261.697305 where: bonds (distance) C4'-P energy: -76.909 bonds (distance) P-C4' energy: -73.087 flat angles C4'-P-C4' energy: -71.026 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: 11.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1560.676042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.676042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.676042 (E_RNA) where: Base-Base interactions energy: -1070.153 where: short stacking energy: -463.070 Base-Backbone interact. energy: -1.203 local terms energy: -489.319329 where: bonds (distance) C4'-P energy: -96.963 bonds (distance) P-C4' energy: -96.273 flat angles C4'-P-C4' energy: -102.828 flat angles P-C4'-P energy: -60.188 tors. eta vs tors. theta energy: -133.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1468.026763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.026763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.026763 (E_RNA) where: Base-Base interactions energy: -976.777 where: short stacking energy: -441.154 Base-Backbone interact. energy: -4.322 local terms energy: -486.927128 where: bonds (distance) C4'-P energy: -94.933 bonds (distance) P-C4' energy: -90.107 flat angles C4'-P-C4' energy: -102.316 flat angles P-C4'-P energy: -77.059 tors. eta vs tors. theta energy: -122.512 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: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1355.511260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.511260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.511260 (E_RNA) where: Base-Base interactions energy: -920.972 where: short stacking energy: -400.874 Base-Backbone interact. energy: -0.908 local terms energy: -433.631842 where: bonds (distance) C4'-P energy: -77.037 bonds (distance) P-C4' energy: -84.373 flat angles C4'-P-C4' energy: -90.238 flat angles P-C4'-P energy: -67.997 tors. eta vs tors. theta energy: -113.987 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: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1259.351701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.351701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.351701 (E_RNA) where: Base-Base interactions energy: -812.338 where: short stacking energy: -351.917 Base-Backbone interact. energy: 0.154 local terms energy: -447.167652 where: bonds (distance) C4'-P energy: -83.774 bonds (distance) P-C4' energy: -99.930 flat angles C4'-P-C4' energy: -108.811 flat angles P-C4'-P energy: -66.903 tors. eta vs tors. theta energy: -87.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1157.255188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.255188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.255188 (E_RNA) where: Base-Base interactions energy: -744.687 where: short stacking energy: -341.080 Base-Backbone interact. energy: -0.888 local terms energy: -411.680304 where: bonds (distance) C4'-P energy: -89.633 bonds (distance) P-C4' energy: -81.172 flat angles C4'-P-C4' energy: -90.112 flat angles P-C4'-P energy: -69.956 tors. eta vs tors. theta energy: -80.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1045.661880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.661880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.661880 (E_RNA) where: Base-Base interactions energy: -674.201 where: short stacking energy: -307.576 Base-Backbone interact. energy: -0.920 local terms energy: -370.540828 where: bonds (distance) C4'-P energy: -77.882 bonds (distance) P-C4' energy: -92.364 flat angles C4'-P-C4' energy: -81.971 flat angles P-C4'-P energy: -49.628 tors. eta vs tors. theta energy: -68.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -853.119640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.119640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.119640 (E_RNA) where: Base-Base interactions energy: -511.564 where: short stacking energy: -245.528 Base-Backbone interact. energy: -0.284 local terms energy: -341.271629 where: bonds (distance) C4'-P energy: -71.658 bonds (distance) P-C4' energy: -75.641 flat angles C4'-P-C4' energy: -86.158 flat angles P-C4'-P energy: -58.115 tors. eta vs tors. theta energy: -49.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -697.124579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.124579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.124579 (E_RNA) where: Base-Base interactions energy: -397.459 where: short stacking energy: -195.893 Base-Backbone interact. energy: 0.156 local terms energy: -299.821753 where: bonds (distance) C4'-P energy: -81.136 bonds (distance) P-C4' energy: -87.534 flat angles C4'-P-C4' energy: -70.925 flat angles P-C4'-P energy: -43.587 tors. eta vs tors. theta energy: -16.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -587.821192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.821192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.821192 (E_RNA) where: Base-Base interactions energy: -308.363 where: short stacking energy: -162.138 Base-Backbone interact. energy: -0.915 local terms energy: -278.542626 where: bonds (distance) C4'-P energy: -71.989 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -60.688 flat angles P-C4'-P energy: -55.304 tors. eta vs tors. theta energy: -8.080 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: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -369.321188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.321188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.321188 (E_RNA) where: Base-Base interactions energy: -131.912 where: short stacking energy: -121.953 Base-Backbone interact. energy: 3.208 local terms energy: -240.616787 where: bonds (distance) C4'-P energy: -86.634 bonds (distance) P-C4' energy: -71.064 flat angles C4'-P-C4' energy: -73.452 flat angles P-C4'-P energy: -26.464 tors. eta vs tors. theta energy: 16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1532.860992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.860992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.860992 (E_RNA) where: Base-Base interactions energy: -1026.310 where: short stacking energy: -458.531 Base-Backbone interact. energy: -2.504 local terms energy: -504.047219 where: bonds (distance) C4'-P energy: -102.679 bonds (distance) P-C4' energy: -96.391 flat angles C4'-P-C4' energy: -99.455 flat angles P-C4'-P energy: -73.013 tors. eta vs tors. theta energy: -132.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1438.256426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.256426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.256426 (E_RNA) where: Base-Base interactions energy: -957.861 where: short stacking energy: -418.343 Base-Backbone interact. energy: -1.820 local terms energy: -478.575484 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -100.202 flat angles C4'-P-C4' energy: -106.786 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: -123.115 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: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1331.270995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.270995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.270995 (E_RNA) where: Base-Base interactions energy: -888.420 where: short stacking energy: -386.724 Base-Backbone interact. energy: -2.243 local terms energy: -440.608466 where: bonds (distance) C4'-P energy: -87.572 bonds (distance) P-C4' energy: -90.357 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -58.678 tors. eta vs tors. theta energy: -111.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1278.889573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.889573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.889573 (E_RNA) where: Base-Base interactions energy: -815.199 where: short stacking energy: -351.947 Base-Backbone interact. energy: -2.562 local terms energy: -461.128629 where: bonds (distance) C4'-P energy: -94.679 bonds (distance) P-C4' energy: -100.731 flat angles C4'-P-C4' energy: -95.288 flat angles P-C4'-P energy: -68.738 tors. eta vs tors. theta energy: -101.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1164.804594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.804594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.804594 (E_RNA) where: Base-Base interactions energy: -727.619 where: short stacking energy: -341.361 Base-Backbone interact. energy: 0.443 local terms energy: -437.628428 where: bonds (distance) C4'-P energy: -96.140 bonds (distance) P-C4' energy: -87.275 flat angles C4'-P-C4' energy: -95.381 flat angles P-C4'-P energy: -59.350 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: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -988.891376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.891376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.891376 (E_RNA) where: Base-Base interactions energy: -617.629 where: short stacking energy: -294.158 Base-Backbone interact. energy: -1.128 local terms energy: -370.134186 where: bonds (distance) C4'-P energy: -81.294 bonds (distance) P-C4' energy: -91.635 flat angles C4'-P-C4' energy: -77.597 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -71.889 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: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -837.303442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.303442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.303442 (E_RNA) where: Base-Base interactions energy: -485.566 where: short stacking energy: -241.905 Base-Backbone interact. energy: -1.397 local terms energy: -350.340622 where: bonds (distance) C4'-P energy: -76.383 bonds (distance) P-C4' energy: -98.346 flat angles C4'-P-C4' energy: -82.061 flat angles P-C4'-P energy: -59.774 tors. eta vs tors. theta energy: -33.776 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: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -673.077998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.077998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.077998 (E_RNA) where: Base-Base interactions energy: -390.755 where: short stacking energy: -188.056 Base-Backbone interact. energy: -2.513 local terms energy: -279.810423 where: bonds (distance) C4'-P energy: -73.967 bonds (distance) P-C4' energy: -81.652 flat angles C4'-P-C4' energy: -76.747 flat angles P-C4'-P energy: -32.414 tors. eta vs tors. theta energy: -15.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -599.670138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.670138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.670138 (E_RNA) where: Base-Base interactions energy: -329.493 where: short stacking energy: -185.906 Base-Backbone interact. energy: -0.835 local terms energy: -269.341384 where: bonds (distance) C4'-P energy: -81.793 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -50.479 flat angles P-C4'-P energy: -46.897 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: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -367.504584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.504584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.504584 (E_RNA) where: Base-Base interactions energy: -129.075 where: short stacking energy: -97.844 Base-Backbone interact. energy: -1.705 local terms energy: -236.724942 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -81.659 flat angles C4'-P-C4' energy: -48.551 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: 15.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1534.246673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.246673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.246673 (E_RNA) where: Base-Base interactions energy: -1056.753 where: short stacking energy: -443.971 Base-Backbone interact. energy: -0.746 local terms energy: -476.747898 where: bonds (distance) C4'-P energy: -89.229 bonds (distance) P-C4' energy: -96.505 flat angles C4'-P-C4' energy: -100.953 flat angles P-C4'-P energy: -58.462 tors. eta vs tors. theta energy: -131.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1433.830975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.830975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.830975 (E_RNA) where: Base-Base interactions energy: -949.063 where: short stacking energy: -429.695 Base-Backbone interact. energy: 1.983 local terms energy: -486.751822 where: bonds (distance) C4'-P energy: -94.013 bonds (distance) P-C4' energy: -96.249 flat angles C4'-P-C4' energy: -104.079 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -120.497 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: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1352.106959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.106959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.106959 (E_RNA) where: Base-Base interactions energy: -887.261 where: short stacking energy: -377.076 Base-Backbone interact. energy: -2.656 local terms energy: -462.189330 where: bonds (distance) C4'-P energy: -88.105 bonds (distance) P-C4' energy: -90.166 flat angles C4'-P-C4' energy: -115.690 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -107.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1308.309352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.309352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.309352 (E_RNA) where: Base-Base interactions energy: -844.596 where: short stacking energy: -385.439 Base-Backbone interact. energy: 1.314 local terms energy: -465.027353 where: bonds (distance) C4'-P energy: -94.407 bonds (distance) P-C4' energy: -94.865 flat angles C4'-P-C4' energy: -85.428 flat angles P-C4'-P energy: -75.411 tors. eta vs tors. theta energy: -114.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1165.102660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.102660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.102660 (E_RNA) where: Base-Base interactions energy: -753.910 where: short stacking energy: -377.251 Base-Backbone interact. energy: 0.044 local terms energy: -411.236419 where: bonds (distance) C4'-P energy: -76.745 bonds (distance) P-C4' energy: -89.058 flat angles C4'-P-C4' energy: -87.838 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -94.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -974.721008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.721008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.721008 (E_RNA) where: Base-Base interactions energy: -614.351 where: short stacking energy: -281.833 Base-Backbone interact. energy: -0.762 local terms energy: -359.607843 where: bonds (distance) C4'-P energy: -79.162 bonds (distance) P-C4' energy: -90.140 flat angles C4'-P-C4' energy: -87.384 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -53.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -894.974840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.974840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.974840 (E_RNA) where: Base-Base interactions energy: -520.122 where: short stacking energy: -282.479 Base-Backbone interact. energy: 0.755 local terms energy: -375.608085 where: bonds (distance) C4'-P energy: -90.587 bonds (distance) P-C4' energy: -80.863 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -68.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -718.597886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.597886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.597886 (E_RNA) where: Base-Base interactions energy: -403.129 where: short stacking energy: -216.363 Base-Backbone interact. energy: -0.697 local terms energy: -314.772633 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -76.038 flat angles C4'-P-C4' energy: -73.736 flat angles P-C4'-P energy: -53.344 tors. eta vs tors. theta energy: -25.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -530.684067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.684067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.684067 (E_RNA) where: Base-Base interactions energy: -275.575 where: short stacking energy: -161.887 Base-Backbone interact. energy: 2.085 local terms energy: -257.193697 where: bonds (distance) C4'-P energy: -78.154 bonds (distance) P-C4' energy: -70.816 flat angles C4'-P-C4' energy: -76.209 flat angles P-C4'-P energy: -31.365 tors. eta vs tors. theta energy: -0.649 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: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -386.839524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.839524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.839524 (E_RNA) where: Base-Base interactions energy: -129.060 where: short stacking energy: -105.543 Base-Backbone interact. energy: -4.120 local terms energy: -253.659569 where: bonds (distance) C4'-P energy: -73.546 bonds (distance) P-C4' energy: -81.816 flat angles C4'-P-C4' energy: -74.264 flat angles P-C4'-P energy: -37.263 tors. eta vs tors. theta energy: 13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1573.759013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.759013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.759013 (E_RNA) where: Base-Base interactions energy: -1067.249 where: short stacking energy: -449.545 Base-Backbone interact. energy: -1.630 local terms energy: -504.879364 where: bonds (distance) C4'-P energy: -104.075 bonds (distance) P-C4' energy: -89.809 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -75.231 tors. eta vs tors. theta energy: -133.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1429.513673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.513673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.513673 (E_RNA) where: Base-Base interactions energy: -945.544 where: short stacking energy: -434.857 Base-Backbone interact. energy: -1.886 local terms energy: -482.084418 where: bonds (distance) C4'-P energy: -96.109 bonds (distance) P-C4' energy: -92.974 flat angles C4'-P-C4' energy: -106.120 flat angles P-C4'-P energy: -61.586 tors. eta vs tors. theta energy: -125.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1404.731259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.731259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.731259 (E_RNA) where: Base-Base interactions energy: -927.591 where: short stacking energy: -431.036 Base-Backbone interact. energy: -4.430 local terms energy: -472.709756 where: bonds (distance) C4'-P energy: -82.324 bonds (distance) P-C4' energy: -91.398 flat angles C4'-P-C4' energy: -109.162 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -121.178 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: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1316.448560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.448560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.448560 (E_RNA) where: Base-Base interactions energy: -878.925 where: short stacking energy: -408.185 Base-Backbone interact. energy: -1.352 local terms energy: -436.171923 where: bonds (distance) C4'-P energy: -89.560 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -100.080 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: -103.568 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: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1165.026490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.026490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.026490 (E_RNA) where: Base-Base interactions energy: -755.568 where: short stacking energy: -350.193 Base-Backbone interact. energy: -1.816 local terms energy: -407.642313 where: bonds (distance) C4'-P energy: -90.140 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -93.095 flat angles P-C4'-P energy: -54.941 tors. eta vs tors. theta energy: -96.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1012.907483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.907483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.907483 (E_RNA) where: Base-Base interactions energy: -609.949 where: short stacking energy: -278.011 Base-Backbone interact. energy: -2.899 local terms energy: -400.059042 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -92.370 flat angles C4'-P-C4' energy: -87.550 flat angles P-C4'-P energy: -71.586 tors. eta vs tors. theta energy: -56.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -862.942714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.942714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.942714 (E_RNA) where: Base-Base interactions energy: -524.822 where: short stacking energy: -268.455 Base-Backbone interact. energy: -0.654 local terms energy: -337.466189 where: bonds (distance) C4'-P energy: -50.342 bonds (distance) P-C4' energy: -88.675 flat angles C4'-P-C4' energy: -83.507 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -60.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -698.371401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.371401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.371401 (E_RNA) where: Base-Base interactions energy: -399.925 where: short stacking energy: -206.694 Base-Backbone interact. energy: -2.882 local terms energy: -295.564305 where: bonds (distance) C4'-P energy: -80.176 bonds (distance) P-C4' energy: -75.337 flat angles C4'-P-C4' energy: -72.906 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -29.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -568.096377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.096377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.096377 (E_RNA) where: Base-Base interactions energy: -283.150 where: short stacking energy: -184.831 Base-Backbone interact. energy: 2.597 local terms energy: -287.543310 where: bonds (distance) C4'-P energy: -74.374 bonds (distance) P-C4' energy: -77.986 flat angles C4'-P-C4' energy: -78.372 flat angles P-C4'-P energy: -41.803 tors. eta vs tors. theta energy: -15.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -369.585032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.585032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.585032 (E_RNA) where: Base-Base interactions energy: -120.998 where: short stacking energy: -110.040 Base-Backbone interact. energy: 4.672 local terms energy: -253.259194 where: bonds (distance) C4'-P energy: -81.696 bonds (distance) P-C4' energy: -87.971 flat angles C4'-P-C4' energy: -63.668 flat angles P-C4'-P energy: -27.508 tors. eta vs tors. theta energy: 7.583 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: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1572.578581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.578581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.578581 (E_RNA) where: Base-Base interactions energy: -1064.081 where: short stacking energy: -486.270 Base-Backbone interact. energy: -2.642 local terms energy: -505.855042 where: bonds (distance) C4'-P energy: -104.434 bonds (distance) P-C4' energy: -90.843 flat angles C4'-P-C4' energy: -104.539 flat angles P-C4'-P energy: -68.092 tors. eta vs tors. theta energy: -137.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1430.694628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.694628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.694628 (E_RNA) where: Base-Base interactions energy: -951.301 where: short stacking energy: -431.279 Base-Backbone interact. energy: 0.165 local terms energy: -479.559283 where: bonds (distance) C4'-P energy: -75.100 bonds (distance) P-C4' energy: -99.073 flat angles C4'-P-C4' energy: -107.786 flat angles P-C4'-P energy: -69.634 tors. eta vs tors. theta energy: -127.965 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: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1374.686103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.686103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.686103 (E_RNA) where: Base-Base interactions energy: -926.284 where: short stacking energy: -413.339 Base-Backbone interact. energy: 0.527 local terms energy: -448.929032 where: bonds (distance) C4'-P energy: -94.187 bonds (distance) P-C4' energy: -82.145 flat angles C4'-P-C4' energy: -102.479 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: -111.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1285.911637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.911637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.911637 (E_RNA) where: Base-Base interactions energy: -819.549 where: short stacking energy: -380.398 Base-Backbone interact. energy: -2.457 local terms energy: -463.905334 where: bonds (distance) C4'-P energy: -94.107 bonds (distance) P-C4' energy: -93.516 flat angles C4'-P-C4' energy: -97.294 flat angles P-C4'-P energy: -64.108 tors. eta vs tors. theta energy: -114.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1166.444536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.444536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.444536 (E_RNA) where: Base-Base interactions energy: -744.469 where: short stacking energy: -346.898 Base-Backbone interact. energy: 0.345 local terms energy: -422.320571 where: bonds (distance) C4'-P energy: -94.763 bonds (distance) P-C4' energy: -88.525 flat angles C4'-P-C4' energy: -92.755 flat angles P-C4'-P energy: -60.593 tors. eta vs tors. theta energy: -85.685 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: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1064.360416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.360416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.360416 (E_RNA) where: Base-Base interactions energy: -664.928 where: short stacking energy: -303.804 Base-Backbone interact. energy: -0.866 local terms energy: -398.566427 where: bonds (distance) C4'-P energy: -85.374 bonds (distance) P-C4' energy: -95.693 flat angles C4'-P-C4' energy: -94.625 flat angles P-C4'-P energy: -58.283 tors. eta vs tors. theta energy: -64.592 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: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -811.439607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.439607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.439607 (E_RNA) where: Base-Base interactions energy: -503.084 where: short stacking energy: -248.689 Base-Backbone interact. energy: -0.584 local terms energy: -307.771863 where: bonds (distance) C4'-P energy: -80.500 bonds (distance) P-C4' energy: -83.208 flat angles C4'-P-C4' energy: -71.457 flat angles P-C4'-P energy: -37.861 tors. eta vs tors. theta energy: -34.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -719.552650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.552650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.552650 (E_RNA) where: Base-Base interactions energy: -409.114 where: short stacking energy: -203.704 Base-Backbone interact. energy: 1.066 local terms energy: -311.503877 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -73.353 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -21.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -559.358738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.358738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.358738 (E_RNA) where: Base-Base interactions energy: -261.572 where: short stacking energy: -174.181 Base-Backbone interact. energy: 0.470 local terms energy: -298.257382 where: bonds (distance) C4'-P energy: -82.466 bonds (distance) P-C4' energy: -84.182 flat angles C4'-P-C4' energy: -84.136 flat angles P-C4'-P energy: -26.708 tors. eta vs tors. theta energy: -20.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -362.836342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.836342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.836342 (E_RNA) where: Base-Base interactions energy: -114.758 where: short stacking energy: -95.873 Base-Backbone interact. energy: 0.515 local terms energy: -248.593351 where: bonds (distance) C4'-P energy: -61.823 bonds (distance) P-C4' energy: -86.267 flat angles C4'-P-C4' energy: -70.432 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: 9.874 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: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1584.813831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.813831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.813831 (E_RNA) where: Base-Base interactions energy: -1068.387 where: short stacking energy: -471.812 Base-Backbone interact. energy: -2.071 local terms energy: -514.356516 where: bonds (distance) C4'-P energy: -99.533 bonds (distance) P-C4' energy: -87.283 flat angles C4'-P-C4' energy: -114.771 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -141.525 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: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1407.090104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.090104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.090104 (E_RNA) where: Base-Base interactions energy: -923.607 where: short stacking energy: -429.022 Base-Backbone interact. energy: -1.852 local terms energy: -481.630795 where: bonds (distance) C4'-P energy: -87.381 bonds (distance) P-C4' energy: -84.122 flat angles C4'-P-C4' energy: -108.145 flat angles P-C4'-P energy: -74.989 tors. eta vs tors. theta energy: -126.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1409.436743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.436743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.436743 (E_RNA) where: Base-Base interactions energy: -945.496 where: short stacking energy: -415.493 Base-Backbone interact. energy: -2.580 local terms energy: -461.360992 where: bonds (distance) C4'-P energy: -86.969 bonds (distance) P-C4' energy: -87.553 flat angles C4'-P-C4' energy: -100.960 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -116.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1253.240161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.240161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.240161 (E_RNA) where: Base-Base interactions energy: -812.830 where: short stacking energy: -367.375 Base-Backbone interact. energy: 5.674 local terms energy: -446.084362 where: bonds (distance) C4'-P energy: -91.936 bonds (distance) P-C4' energy: -91.292 flat angles C4'-P-C4' energy: -89.823 flat angles P-C4'-P energy: -71.046 tors. eta vs tors. theta energy: -101.986 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: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1158.126240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.126240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.126240 (E_RNA) where: Base-Base interactions energy: -737.813 where: short stacking energy: -357.783 Base-Backbone interact. energy: 0.048 local terms energy: -420.361180 where: bonds (distance) C4'-P energy: -83.105 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -89.386 flat angles P-C4'-P energy: -60.805 tors. eta vs tors. theta energy: -98.858 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: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1037.903316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.903316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.903316 (E_RNA) where: Base-Base interactions energy: -658.407 where: short stacking energy: -327.275 Base-Backbone interact. energy: 1.446 local terms energy: -380.942794 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -52.306 tors. eta vs tors. theta energy: -86.473 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: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -751.492937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.492937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.492937 (E_RNA) where: Base-Base interactions energy: -446.353 where: short stacking energy: -221.467 Base-Backbone interact. energy: 0.088 local terms energy: -305.227820 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -87.975 flat angles C4'-P-C4' energy: -74.623 flat angles P-C4'-P energy: -35.742 tors. eta vs tors. theta energy: -37.320 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: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -812.703985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.703985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.703985 (E_RNA) where: Base-Base interactions energy: -491.924 where: short stacking energy: -227.753 Base-Backbone interact. energy: -1.121 local terms energy: -319.659088 where: bonds (distance) C4'-P energy: -76.839 bonds (distance) P-C4' energy: -90.475 flat angles C4'-P-C4' energy: -69.543 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -39.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -625.340026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.340026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.340026 (E_RNA) where: Base-Base interactions energy: -342.483 where: short stacking energy: -194.053 Base-Backbone interact. energy: -1.898 local terms energy: -280.959571 where: bonds (distance) C4'-P energy: -78.897 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -80.420 flat angles P-C4'-P energy: -29.962 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: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -376.255862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.255862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.255862 (E_RNA) where: Base-Base interactions energy: -124.104 where: short stacking energy: -112.005 Base-Backbone interact. energy: -0.531 local terms energy: -251.621109 where: bonds (distance) C4'-P energy: -70.049 bonds (distance) P-C4' energy: -78.818 flat angles C4'-P-C4' energy: -69.476 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: 9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1554.636929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.636929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.636929 (E_RNA) where: Base-Base interactions energy: -1065.617 where: short stacking energy: -476.961 Base-Backbone interact. energy: -2.363 local terms energy: -486.656972 where: bonds (distance) C4'-P energy: -89.949 bonds (distance) P-C4' energy: -98.956 flat angles C4'-P-C4' energy: -99.891 flat angles P-C4'-P energy: -64.284 tors. eta vs tors. theta energy: -133.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1456.087680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.087680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.087680 (E_RNA) where: Base-Base interactions energy: -988.942 where: short stacking energy: -414.760 Base-Backbone interact. energy: 1.929 local terms energy: -469.075089 where: bonds (distance) C4'-P energy: -94.288 bonds (distance) P-C4' energy: -100.613 flat angles C4'-P-C4' energy: -104.546 flat angles P-C4'-P energy: -66.160 tors. eta vs tors. theta energy: -103.468 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: 397 Temperature: 1.000000 Total energy: -1349.912211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.912211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.912211 (E_RNA) where: Base-Base interactions energy: -889.524 where: short stacking energy: -394.883 Base-Backbone interact. energy: -0.822 local terms energy: -459.565580 where: bonds (distance) C4'-P energy: -84.688 bonds (distance) P-C4' energy: -91.076 flat angles C4'-P-C4' energy: -102.679 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -107.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1266.253023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.253023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.253023 (E_RNA) where: Base-Base interactions energy: -808.852 where: short stacking energy: -369.273 Base-Backbone interact. energy: -3.741 local terms energy: -453.659930 where: bonds (distance) C4'-P energy: -93.053 bonds (distance) P-C4' energy: -90.556 flat angles C4'-P-C4' energy: -97.160 flat angles P-C4'-P energy: -57.759 tors. eta vs tors. theta energy: -115.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1188.700742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.700742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.700742 (E_RNA) where: Base-Base interactions energy: -747.424 where: short stacking energy: -374.122 Base-Backbone interact. energy: -1.722 local terms energy: -439.554515 where: bonds (distance) C4'-P energy: -88.510 bonds (distance) P-C4' energy: -82.600 flat angles C4'-P-C4' energy: -85.851 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: -109.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1023.078199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.078199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.078199 (E_RNA) where: Base-Base interactions energy: -656.463 where: short stacking energy: -299.207 Base-Backbone interact. energy: -1.580 local terms energy: -365.035068 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -68.111 flat angles C4'-P-C4' energy: -83.617 flat angles P-C4'-P energy: -60.499 tors. eta vs tors. theta energy: -74.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -765.991607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.991607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.991607 (E_RNA) where: Base-Base interactions energy: -442.961 where: short stacking energy: -234.874 Base-Backbone interact. energy: -0.745 local terms energy: -322.285345 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -90.987 flat angles C4'-P-C4' energy: -76.922 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -28.970 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: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -746.578747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.578747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.578747 (E_RNA) where: Base-Base interactions energy: -418.618 where: short stacking energy: -195.210 Base-Backbone interact. energy: -1.451 local terms energy: -326.509436 where: bonds (distance) C4'-P energy: -85.472 bonds (distance) P-C4' energy: -81.408 flat angles C4'-P-C4' energy: -77.806 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: -32.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -599.948604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.948604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.948604 (E_RNA) where: Base-Base interactions energy: -302.217 where: short stacking energy: -158.703 Base-Backbone interact. energy: -0.478 local terms energy: -297.253557 where: bonds (distance) C4'-P energy: -88.417 bonds (distance) P-C4' energy: -80.263 flat angles C4'-P-C4' energy: -70.662 flat angles P-C4'-P energy: -44.244 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -399.871066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.871066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.871066 (E_RNA) where: Base-Base interactions energy: -151.215 where: short stacking energy: -93.735 Base-Backbone interact. energy: -1.848 local terms energy: -246.808616 where: bonds (distance) C4'-P energy: -71.751 bonds (distance) P-C4' energy: -74.216 flat angles C4'-P-C4' energy: -73.574 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: 23.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1558.735704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.735704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.735704 (E_RNA) where: Base-Base interactions energy: -1056.913 where: short stacking energy: -462.233 Base-Backbone interact. energy: -3.711 local terms energy: -498.111302 where: bonds (distance) C4'-P energy: -100.423 bonds (distance) P-C4' energy: -92.416 flat angles C4'-P-C4' energy: -107.542 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -131.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1432.728059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.728059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.728059 (E_RNA) where: Base-Base interactions energy: -958.702 where: short stacking energy: -393.185 Base-Backbone interact. energy: -3.832 local terms energy: -470.194175 where: bonds (distance) C4'-P energy: -93.817 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -82.387 tors. eta vs tors. theta energy: -100.498 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: 398 Temperature: 1.000000 Total energy: -1366.344105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.344105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.344105 (E_RNA) where: Base-Base interactions energy: -903.811 where: short stacking energy: -418.669 Base-Backbone interact. energy: 6.172 local terms energy: -468.705441 where: bonds (distance) C4'-P energy: -89.832 bonds (distance) P-C4' energy: -98.387 flat angles C4'-P-C4' energy: -89.757 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -122.829 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: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1305.617142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.617142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.617142 (E_RNA) where: Base-Base interactions energy: -861.162 where: short stacking energy: -390.600 Base-Backbone interact. energy: -0.549 local terms energy: -443.905660 where: bonds (distance) C4'-P energy: -92.907 bonds (distance) P-C4' energy: -87.548 flat angles C4'-P-C4' energy: -97.630 flat angles P-C4'-P energy: -58.769 tors. eta vs tors. theta energy: -107.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1149.477866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.477866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.477866 (E_RNA) where: Base-Base interactions energy: -712.740 where: short stacking energy: -332.709 Base-Backbone interact. energy: -0.348 local terms energy: -436.389757 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -93.329 flat angles P-C4'-P energy: -71.045 tors. eta vs tors. theta energy: -104.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1041.020213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.020213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.020213 (E_RNA) where: Base-Base interactions energy: -627.266 where: short stacking energy: -319.161 Base-Backbone interact. energy: 4.816 local terms energy: -418.570232 where: bonds (distance) C4'-P energy: -99.623 bonds (distance) P-C4' energy: -87.109 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -64.863 tors. eta vs tors. theta energy: -79.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -796.618300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.618300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.618300 (E_RNA) where: Base-Base interactions energy: -478.293 where: short stacking energy: -243.384 Base-Backbone interact. energy: 1.920 local terms energy: -320.245791 where: bonds (distance) C4'-P energy: -72.985 bonds (distance) P-C4' energy: -74.972 flat angles C4'-P-C4' energy: -91.980 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -33.594 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: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -732.149722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.149722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.149722 (E_RNA) where: Base-Base interactions energy: -422.535 where: short stacking energy: -211.102 Base-Backbone interact. energy: 3.079 local terms energy: -312.694159 where: bonds (distance) C4'-P energy: -81.744 bonds (distance) P-C4' energy: -76.030 flat angles C4'-P-C4' energy: -73.102 flat angles P-C4'-P energy: -50.424 tors. eta vs tors. theta energy: -31.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -603.405956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.405956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.405956 (E_RNA) where: Base-Base interactions energy: -332.134 where: short stacking energy: -178.195 Base-Backbone interact. energy: -3.045 local terms energy: -268.227230 where: bonds (distance) C4'-P energy: -87.680 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -42.365 flat angles P-C4'-P energy: -46.311 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -363.189627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.189627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.189627 (E_RNA) where: Base-Base interactions energy: -113.609 where: short stacking energy: -80.771 Base-Backbone interact. energy: -4.439 local terms energy: -245.141815 where: bonds (distance) C4'-P energy: -73.901 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -60.643 flat angles P-C4'-P energy: -38.954 tors. eta vs tors. theta energy: 14.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1572.679533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.679533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.679533 (E_RNA) where: Base-Base interactions energy: -1079.561 where: short stacking energy: -461.823 Base-Backbone interact. energy: -4.511 local terms energy: -488.606744 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -97.984 flat angles C4'-P-C4' energy: -98.686 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -131.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1476.865808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.865808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.865808 (E_RNA) where: Base-Base interactions energy: -981.907 where: short stacking energy: -454.155 Base-Backbone interact. energy: 0.301 local terms energy: -495.259059 where: bonds (distance) C4'-P energy: -93.529 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -107.589 flat angles P-C4'-P energy: -71.630 tors. eta vs tors. theta energy: -130.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1363.154990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.154990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.154990 (E_RNA) where: Base-Base interactions energy: -876.343 where: short stacking energy: -418.700 Base-Backbone interact. energy: -3.554 local terms energy: -483.257354 where: bonds (distance) C4'-P energy: -92.368 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -105.945 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: -124.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1270.106516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.106516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.106516 (E_RNA) where: Base-Base interactions energy: -824.321 where: short stacking energy: -386.479 Base-Backbone interact. energy: 0.405 local terms energy: -446.190458 where: bonds (distance) C4'-P energy: -84.927 bonds (distance) P-C4' energy: -96.578 flat angles C4'-P-C4' energy: -102.090 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -107.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1157.850788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.850788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.850788 (E_RNA) where: Base-Base interactions energy: -738.962 where: short stacking energy: -349.896 Base-Backbone interact. energy: -0.599 local terms energy: -418.290155 where: bonds (distance) C4'-P energy: -85.908 bonds (distance) P-C4' energy: -84.088 flat angles C4'-P-C4' energy: -91.577 flat angles P-C4'-P energy: -65.513 tors. eta vs tors. theta energy: -91.205 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: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1037.367274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.367274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.367274 (E_RNA) where: Base-Base interactions energy: -658.791 where: short stacking energy: -323.260 Base-Backbone interact. energy: 0.382 local terms energy: -378.957952 where: bonds (distance) C4'-P energy: -89.368 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -69.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -811.913367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.913367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.913367 (E_RNA) where: Base-Base interactions energy: -472.065 where: short stacking energy: -246.483 Base-Backbone interact. energy: -1.492 local terms energy: -338.356625 where: bonds (distance) C4'-P energy: -80.092 bonds (distance) P-C4' energy: -67.871 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -59.830 tors. eta vs tors. theta energy: -42.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -711.025878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.025878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.025878 (E_RNA) where: Base-Base interactions energy: -401.090 where: short stacking energy: -208.054 Base-Backbone interact. energy: 2.739 local terms energy: -312.675100 where: bonds (distance) C4'-P energy: -84.868 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -71.743 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -33.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -625.419859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.419859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.419859 (E_RNA) where: Base-Base interactions energy: -323.148 where: short stacking energy: -179.408 Base-Backbone interact. energy: -1.066 local terms energy: -301.205179 where: bonds (distance) C4'-P energy: -64.914 bonds (distance) P-C4' energy: -77.244 flat angles C4'-P-C4' energy: -94.727 flat angles P-C4'-P energy: -36.948 tors. eta vs tors. theta energy: -27.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -365.889641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.889641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.889641 (E_RNA) where: Base-Base interactions energy: -114.321 where: short stacking energy: -92.760 Base-Backbone interact. energy: -0.207 local terms energy: -251.361272 where: bonds (distance) C4'-P energy: -72.357 bonds (distance) P-C4' energy: -74.867 flat angles C4'-P-C4' energy: -72.748 flat angles P-C4'-P energy: -43.027 tors. eta vs tors. theta energy: 11.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1564.155964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.155964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.155964 (E_RNA) where: Base-Base interactions energy: -1073.401 where: short stacking energy: -445.664 Base-Backbone interact. energy: -7.109 local terms energy: -483.646108 where: bonds (distance) C4'-P energy: -103.102 bonds (distance) P-C4' energy: -92.188 flat angles C4'-P-C4' energy: -100.950 flat angles P-C4'-P energy: -57.925 tors. eta vs tors. theta energy: -129.481 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: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1494.686044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.686044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.686044 (E_RNA) where: Base-Base interactions energy: -996.895 where: short stacking energy: -443.262 Base-Backbone interact. energy: -4.374 local terms energy: -493.416809 where: bonds (distance) C4'-P energy: -92.587 bonds (distance) P-C4' energy: -99.067 flat angles C4'-P-C4' energy: -108.938 flat angles P-C4'-P energy: -67.040 tors. eta vs tors. theta energy: -125.785 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1361.391462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.391462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.391462 (E_RNA) where: Base-Base interactions energy: -888.478 where: short stacking energy: -395.721 Base-Backbone interact. energy: -1.562 local terms energy: -471.351498 where: bonds (distance) C4'-P energy: -88.430 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -100.634 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: -118.923 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: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1262.543596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.543596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.543596 (E_RNA) where: Base-Base interactions energy: -807.062 where: short stacking energy: -371.730 Base-Backbone interact. energy: 3.437 local terms energy: -458.918567 where: bonds (distance) C4'-P energy: -92.246 bonds (distance) P-C4' energy: -90.748 flat angles C4'-P-C4' energy: -103.846 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: -111.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1162.517170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.517170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.517170 (E_RNA) where: Base-Base interactions energy: -738.898 where: short stacking energy: -356.514 Base-Backbone interact. energy: -1.717 local terms energy: -421.902400 where: bonds (distance) C4'-P energy: -81.901 bonds (distance) P-C4' energy: -83.986 flat angles C4'-P-C4' energy: -100.165 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -99.903 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: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1022.859148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.859148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.859148 (E_RNA) where: Base-Base interactions energy: -655.991 where: short stacking energy: -301.317 Base-Backbone interact. energy: -0.659 local terms energy: -366.209641 where: bonds (distance) C4'-P energy: -80.162 bonds (distance) P-C4' energy: -76.368 flat angles C4'-P-C4' energy: -95.185 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -65.894 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: 7, replica: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -778.571356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.571356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.571356 (E_RNA) where: Base-Base interactions energy: -446.307 where: short stacking energy: -223.764 Base-Backbone interact. energy: -1.019 local terms energy: -331.245629 where: bonds (distance) C4'-P energy: -72.515 bonds (distance) P-C4' energy: -89.770 flat angles C4'-P-C4' energy: -93.471 flat angles P-C4'-P energy: -45.358 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: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -739.607115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.607115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.607115 (E_RNA) where: Base-Base interactions energy: -438.244 where: short stacking energy: -229.955 Base-Backbone interact. energy: -2.338 local terms energy: -299.024477 where: bonds (distance) C4'-P energy: -71.714 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -89.184 flat angles P-C4'-P energy: -50.308 tors. eta vs tors. theta energy: -21.713 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: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -590.733636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.733636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.733636 (E_RNA) where: Base-Base interactions energy: -311.554 where: short stacking energy: -180.730 Base-Backbone interact. energy: 1.391 local terms energy: -280.570907 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -80.754 flat angles C4'-P-C4' energy: -95.759 flat angles P-C4'-P energy: -33.443 tors. eta vs tors. theta energy: -12.339 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: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -361.491206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.491206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.491206 (E_RNA) where: Base-Base interactions energy: -118.981 where: short stacking energy: -99.811 Base-Backbone interact. energy: -0.031 local terms energy: -242.479719 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -67.371 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: 11.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1581.610026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.610026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.610026 (E_RNA) where: Base-Base interactions energy: -1072.319 where: short stacking energy: -468.102 Base-Backbone interact. energy: -4.557 local terms energy: -504.734344 where: bonds (distance) C4'-P energy: -98.509 bonds (distance) P-C4' energy: -88.797 flat angles C4'-P-C4' energy: -114.351 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: -137.784 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: 401 Temperature: 0.950000 Total energy: -1481.034583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.034583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.034583 (E_RNA) where: Base-Base interactions energy: -980.993 where: short stacking energy: -450.334 Base-Backbone interact. energy: -4.368 local terms energy: -495.673698 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -97.525 flat angles C4'-P-C4' energy: -114.011 flat angles P-C4'-P energy: -65.898 tors. eta vs tors. theta energy: -126.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1371.144437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.144437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.144437 (E_RNA) where: Base-Base interactions energy: -907.115 where: short stacking energy: -397.417 Base-Backbone interact. energy: -1.304 local terms energy: -462.725319 where: bonds (distance) C4'-P energy: -77.668 bonds (distance) P-C4' energy: -89.574 flat angles C4'-P-C4' energy: -106.252 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -117.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1312.678635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.678635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.678635 (E_RNA) where: Base-Base interactions energy: -874.161 where: short stacking energy: -403.333 Base-Backbone interact. energy: 0.082 local terms energy: -438.599939 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -73.438 flat angles C4'-P-C4' energy: -99.040 flat angles P-C4'-P energy: -60.093 tors. eta vs tors. theta energy: -121.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1158.467806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.467806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.467806 (E_RNA) where: Base-Base interactions energy: -741.957 where: short stacking energy: -351.534 Base-Backbone interact. energy: -0.609 local terms energy: -415.902209 where: bonds (distance) C4'-P energy: -75.811 bonds (distance) P-C4' energy: -87.368 flat angles C4'-P-C4' energy: -94.377 flat angles P-C4'-P energy: -66.239 tors. eta vs tors. theta energy: -92.106 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: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1007.076970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.076970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.076970 (E_RNA) where: Base-Base interactions energy: -627.235 where: short stacking energy: -305.155 Base-Backbone interact. energy: -2.509 local terms energy: -377.332935 where: bonds (distance) C4'-P energy: -89.521 bonds (distance) P-C4' energy: -94.613 flat angles C4'-P-C4' energy: -73.268 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -71.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -740.568823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.568823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.568823 (E_RNA) where: Base-Base interactions energy: -392.980 where: short stacking energy: -195.117 Base-Backbone interact. energy: -2.081 local terms energy: -345.507679 where: bonds (distance) C4'-P energy: -88.979 bonds (distance) P-C4' energy: -86.786 flat angles C4'-P-C4' energy: -82.059 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -33.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -703.104688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.104688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.104688 (E_RNA) where: Base-Base interactions energy: -374.099 where: short stacking energy: -195.277 Base-Backbone interact. energy: -1.590 local terms energy: -327.415269 where: bonds (distance) C4'-P energy: -84.188 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -49.562 tors. eta vs tors. theta energy: -35.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -587.308418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.308418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.308418 (E_RNA) where: Base-Base interactions energy: -298.780 where: short stacking energy: -155.267 Base-Backbone interact. energy: -1.804 local terms energy: -286.724378 where: bonds (distance) C4'-P energy: -76.219 bonds (distance) P-C4' energy: -77.064 flat angles C4'-P-C4' energy: -73.835 flat angles P-C4'-P energy: -40.787 tors. eta vs tors. theta energy: -18.819 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: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -370.185746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.185746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.185746 (E_RNA) where: Base-Base interactions energy: -141.410 where: short stacking energy: -124.696 Base-Backbone interact. energy: -1.029 local terms energy: -227.746484 where: bonds (distance) C4'-P energy: -75.241 bonds (distance) P-C4' energy: -67.308 flat angles C4'-P-C4' energy: -44.586 flat angles P-C4'-P energy: -48.732 tors. eta vs tors. theta energy: 8.120 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1568.330697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.330697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.330697 (E_RNA) where: Base-Base interactions energy: -1066.260 where: short stacking energy: -454.846 Base-Backbone interact. energy: -3.516 local terms energy: -498.554191 where: bonds (distance) C4'-P energy: -101.053 bonds (distance) P-C4' energy: -93.165 flat angles C4'-P-C4' energy: -110.184 flat angles P-C4'-P energy: -64.094 tors. eta vs tors. theta energy: -130.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1512.360335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.360335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.360335 (E_RNA) where: Base-Base interactions energy: -1020.135 where: short stacking energy: -467.388 Base-Backbone interact. energy: -1.936 local terms energy: -490.289440 where: bonds (distance) C4'-P energy: -84.424 bonds (distance) P-C4' energy: -103.636 flat angles C4'-P-C4' energy: -98.541 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -137.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1401.798794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.798794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.798794 (E_RNA) where: Base-Base interactions energy: -934.467 where: short stacking energy: -427.449 Base-Backbone interact. energy: -1.640 local terms energy: -465.692442 where: bonds (distance) C4'-P energy: -92.514 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -123.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1282.346679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.346679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.346679 (E_RNA) where: Base-Base interactions energy: -804.719 where: short stacking energy: -365.341 Base-Backbone interact. energy: -0.076 local terms energy: -477.551549 where: bonds (distance) C4'-P energy: -100.723 bonds (distance) P-C4' energy: -100.350 flat angles C4'-P-C4' energy: -100.801 flat angles P-C4'-P energy: -75.123 tors. eta vs tors. theta energy: -100.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1171.760394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.760394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.760394 (E_RNA) where: Base-Base interactions energy: -746.056 where: short stacking energy: -349.474 Base-Backbone interact. energy: -0.777 local terms energy: -424.927312 where: bonds (distance) C4'-P energy: -99.148 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -98.779 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -96.933 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: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1020.496423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.496423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.496423 (E_RNA) where: Base-Base interactions energy: -636.419 where: short stacking energy: -295.496 Base-Backbone interact. energy: 0.556 local terms energy: -384.634157 where: bonds (distance) C4'-P energy: -88.827 bonds (distance) P-C4' energy: -83.871 flat angles C4'-P-C4' energy: -91.965 flat angles P-C4'-P energy: -55.730 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: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -745.954028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.954028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.954028 (E_RNA) where: Base-Base interactions energy: -420.907 where: short stacking energy: -234.265 Base-Backbone interact. energy: -0.081 local terms energy: -324.965831 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -91.280 flat angles C4'-P-C4' energy: -66.610 flat angles P-C4'-P energy: -42.559 tors. eta vs tors. theta energy: -36.589 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: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -734.726911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.726911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.726911 (E_RNA) where: Base-Base interactions energy: -409.977 where: short stacking energy: -216.738 Base-Backbone interact. energy: 5.359 local terms energy: -330.109326 where: bonds (distance) C4'-P energy: -79.514 bonds (distance) P-C4' energy: -84.992 flat angles C4'-P-C4' energy: -79.749 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -41.802 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: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -593.027934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.027934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.027934 (E_RNA) where: Base-Base interactions energy: -296.939 where: short stacking energy: -163.444 Base-Backbone interact. energy: -1.269 local terms energy: -294.819912 where: bonds (distance) C4'-P energy: -84.123 bonds (distance) P-C4' energy: -69.326 flat angles C4'-P-C4' energy: -78.028 flat angles P-C4'-P energy: -45.600 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -370.787685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.787685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.787685 (E_RNA) where: Base-Base interactions energy: -113.628 where: short stacking energy: -96.312 Base-Backbone interact. energy: -1.333 local terms energy: -255.826909 where: bonds (distance) C4'-P energy: -86.734 bonds (distance) P-C4' energy: -88.311 flat angles C4'-P-C4' energy: -45.571 flat angles P-C4'-P energy: -43.190 tors. eta vs tors. theta energy: 7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1575.097564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.097564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.097564 (E_RNA) where: Base-Base interactions energy: -1072.179 where: short stacking energy: -448.737 Base-Backbone interact. energy: -5.570 local terms energy: -497.348200 where: bonds (distance) C4'-P energy: -98.303 bonds (distance) P-C4' energy: -97.651 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -131.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1508.646223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.646223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.646223 (E_RNA) where: Base-Base interactions energy: -1013.581 where: short stacking energy: -439.399 Base-Backbone interact. energy: -3.678 local terms energy: -491.386748 where: bonds (distance) C4'-P energy: -87.872 bonds (distance) P-C4' energy: -94.242 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: -131.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1391.118740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.118740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.118740 (E_RNA) where: Base-Base interactions energy: -909.867 where: short stacking energy: -422.058 Base-Backbone interact. energy: -1.602 local terms energy: -479.649793 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -89.615 flat angles C4'-P-C4' energy: -101.925 flat angles P-C4'-P energy: -63.157 tors. eta vs tors. theta energy: -127.958 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: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1252.557645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.557645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.557645 (E_RNA) where: Base-Base interactions energy: -812.598 where: short stacking energy: -386.272 Base-Backbone interact. energy: -1.653 local terms energy: -438.307362 where: bonds (distance) C4'-P energy: -96.082 bonds (distance) P-C4' energy: -86.245 flat angles C4'-P-C4' energy: -83.784 flat angles P-C4'-P energy: -70.504 tors. eta vs tors. theta energy: -101.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1182.051515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.051515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.051515 (E_RNA) where: Base-Base interactions energy: -769.158 where: short stacking energy: -353.954 Base-Backbone interact. energy: -0.673 local terms energy: -412.220591 where: bonds (distance) C4'-P energy: -75.265 bonds (distance) P-C4' energy: -77.016 flat angles C4'-P-C4' energy: -101.239 flat angles P-C4'-P energy: -62.744 tors. eta vs tors. theta energy: -95.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -988.034772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.034772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.034772 (E_RNA) where: Base-Base interactions energy: -628.337 where: short stacking energy: -279.927 Base-Backbone interact. energy: -0.760 local terms energy: -358.938406 where: bonds (distance) C4'-P energy: -87.122 bonds (distance) P-C4' energy: -97.516 flat angles C4'-P-C4' energy: -69.558 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -49.366 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: 403 Temperature: 1.200000 Total energy: -726.421293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.421293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.421293 (E_RNA) where: Base-Base interactions energy: -370.646 where: short stacking energy: -181.636 Base-Backbone interact. energy: -0.091 local terms energy: -355.683889 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -99.712 flat angles C4'-P-C4' energy: -86.185 flat angles P-C4'-P energy: -61.719 tors. eta vs tors. theta energy: -26.031 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: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -789.614573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.614573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.614573 (E_RNA) where: Base-Base interactions energy: -448.265 where: short stacking energy: -243.502 Base-Backbone interact. energy: 2.053 local terms energy: -343.402444 where: bonds (distance) C4'-P energy: -76.825 bonds (distance) P-C4' energy: -86.980 flat angles C4'-P-C4' energy: -82.559 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -44.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -527.030923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.030923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.030923 (E_RNA) where: Base-Base interactions energy: -235.087 where: short stacking energy: -136.228 Base-Backbone interact. energy: -2.199 local terms energy: -289.745296 where: bonds (distance) C4'-P energy: -89.000 bonds (distance) P-C4' energy: -92.099 flat angles C4'-P-C4' energy: -72.168 flat angles P-C4'-P energy: -33.108 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: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -383.123977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.123977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.123977 (E_RNA) where: Base-Base interactions energy: -132.976 where: short stacking energy: -101.899 Base-Backbone interact. energy: 5.366 local terms energy: -255.514043 where: bonds (distance) C4'-P energy: -88.133 bonds (distance) P-C4' energy: -88.111 flat angles C4'-P-C4' energy: -58.235 flat angles P-C4'-P energy: -36.706 tors. eta vs tors. theta energy: 15.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1567.082931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.082931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.082931 (E_RNA) where: Base-Base interactions energy: -1060.675 where: short stacking energy: -464.651 Base-Backbone interact. energy: -0.403 local terms energy: -506.004598 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -98.999 flat angles C4'-P-C4' energy: -102.537 flat angles P-C4'-P energy: -75.752 tors. eta vs tors. theta energy: -136.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1535.259474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.259474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.259474 (E_RNA) where: Base-Base interactions energy: -1023.388 where: short stacking energy: -478.001 Base-Backbone interact. energy: -3.100 local terms energy: -508.771404 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -101.496 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -71.859 tors. eta vs tors. theta energy: -139.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1372.962024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.962024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.962024 (E_RNA) where: Base-Base interactions energy: -922.965 where: short stacking energy: -405.357 Base-Backbone interact. energy: -1.395 local terms energy: -448.602123 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -97.533 flat angles C4'-P-C4' energy: -94.023 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -120.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1279.647778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.647778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.647778 (E_RNA) where: Base-Base interactions energy: -850.206 where: short stacking energy: -404.939 Base-Backbone interact. energy: 3.191 local terms energy: -432.632137 where: bonds (distance) C4'-P energy: -85.991 bonds (distance) P-C4' energy: -75.432 flat angles C4'-P-C4' energy: -98.739 flat angles P-C4'-P energy: -57.336 tors. eta vs tors. theta energy: -115.134 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: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1144.280085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.280085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.280085 (E_RNA) where: Base-Base interactions energy: -746.625 where: short stacking energy: -337.665 Base-Backbone interact. energy: 1.088 local terms energy: -398.743154 where: bonds (distance) C4'-P energy: -83.013 bonds (distance) P-C4' energy: -88.038 flat angles C4'-P-C4' energy: -90.541 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -88.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -975.474745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.474745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.474745 (E_RNA) where: Base-Base interactions energy: -613.810 where: short stacking energy: -290.672 Base-Backbone interact. energy: -0.202 local terms energy: -361.462661 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -83.190 flat angles P-C4'-P energy: -46.940 tors. eta vs tors. theta energy: -73.805 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: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -868.137689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.137689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.137689 (E_RNA) where: Base-Base interactions energy: -498.124 where: short stacking energy: -273.456 Base-Backbone interact. energy: -1.895 local terms energy: -368.118254 where: bonds (distance) C4'-P energy: -76.831 bonds (distance) P-C4' energy: -94.651 flat angles C4'-P-C4' energy: -89.837 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -51.174 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: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -738.474745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.474745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.474745 (E_RNA) where: Base-Base interactions energy: -406.600 where: short stacking energy: -204.459 Base-Backbone interact. energy: -2.117 local terms energy: -329.757917 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -91.065 flat angles C4'-P-C4' energy: -72.510 flat angles P-C4'-P energy: -55.690 tors. eta vs tors. theta energy: -35.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -510.184574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.184574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.184574 (E_RNA) where: Base-Base interactions energy: -257.070 where: short stacking energy: -147.213 Base-Backbone interact. energy: -1.329 local terms energy: -251.785643 where: bonds (distance) C4'-P energy: -76.348 bonds (distance) P-C4' energy: -83.458 flat angles C4'-P-C4' energy: -67.657 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: 8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -393.674296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.674296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.674296 (E_RNA) where: Base-Base interactions energy: -136.865 where: short stacking energy: -100.038 Base-Backbone interact. energy: -1.284 local terms energy: -255.524816 where: bonds (distance) C4'-P energy: -81.321 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -62.800 flat angles P-C4'-P energy: -32.863 tors. eta vs tors. theta energy: 4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1548.263321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.263321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.263321 (E_RNA) where: Base-Base interactions energy: -1052.028 where: short stacking energy: -445.134 Base-Backbone interact. energy: -3.284 local terms energy: -492.950670 where: bonds (distance) C4'-P energy: -102.252 bonds (distance) P-C4' energy: -96.366 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -119.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1524.082873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.082873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.082873 (E_RNA) where: Base-Base interactions energy: -1032.751 where: short stacking energy: -467.707 Base-Backbone interact. energy: -1.613 local terms energy: -489.719297 where: bonds (distance) C4'-P energy: -82.525 bonds (distance) P-C4' energy: -106.682 flat angles C4'-P-C4' energy: -104.790 flat angles P-C4'-P energy: -63.829 tors. eta vs tors. theta energy: -131.893 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: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1402.042398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.042398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.042398 (E_RNA) where: Base-Base interactions energy: -942.271 where: short stacking energy: -415.904 Base-Backbone interact. energy: 1.102 local terms energy: -460.873119 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -97.752 flat angles C4'-P-C4' energy: -95.026 flat angles P-C4'-P energy: -62.652 tors. eta vs tors. theta energy: -124.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1303.468094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.468094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.468094 (E_RNA) where: Base-Base interactions energy: -835.826 where: short stacking energy: -395.473 Base-Backbone interact. energy: -1.911 local terms energy: -465.730939 where: bonds (distance) C4'-P energy: -86.380 bonds (distance) P-C4' energy: -96.875 flat angles C4'-P-C4' energy: -112.201 flat angles P-C4'-P energy: -56.837 tors. eta vs tors. theta energy: -113.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1116.116380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.116380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.116380 (E_RNA) where: Base-Base interactions energy: -695.926 where: short stacking energy: -340.619 Base-Backbone interact. energy: 1.405 local terms energy: -421.594444 where: bonds (distance) C4'-P energy: -81.457 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -64.471 tors. eta vs tors. theta energy: -88.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -975.643351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.643351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.643351 (E_RNA) where: Base-Base interactions energy: -619.726 where: short stacking energy: -259.120 Base-Backbone interact. energy: -2.419 local terms energy: -353.498358 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -89.589 flat angles C4'-P-C4' energy: -80.359 flat angles P-C4'-P energy: -54.986 tors. eta vs tors. theta energy: -47.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -857.430265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.430265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.430265 (E_RNA) where: Base-Base interactions energy: -508.911 where: short stacking energy: -282.012 Base-Backbone interact. energy: -1.134 local terms energy: -347.385715 where: bonds (distance) C4'-P energy: -75.694 bonds (distance) P-C4' energy: -88.683 flat angles C4'-P-C4' energy: -77.926 flat angles P-C4'-P energy: -32.121 tors. eta vs tors. theta energy: -72.963 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: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -707.152882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.152882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.152882 (E_RNA) where: Base-Base interactions energy: -377.676 where: short stacking energy: -186.396 Base-Backbone interact. energy: 1.076 local terms energy: -330.553215 where: bonds (distance) C4'-P energy: -78.083 bonds (distance) P-C4' energy: -76.274 flat angles C4'-P-C4' energy: -77.365 flat angles P-C4'-P energy: -68.634 tors. eta vs tors. theta energy: -30.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -581.883305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.883305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.883305 (E_RNA) where: Base-Base interactions energy: -306.899 where: short stacking energy: -157.727 Base-Backbone interact. energy: 1.520 local terms energy: -276.504514 where: bonds (distance) C4'-P energy: -78.117 bonds (distance) P-C4' energy: -81.601 flat angles C4'-P-C4' energy: -85.280 flat angles P-C4'-P energy: -34.061 tors. eta vs tors. theta energy: 2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -406.673323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.673323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.673323 (E_RNA) where: Base-Base interactions energy: -167.347 where: short stacking energy: -126.922 Base-Backbone interact. energy: 1.247 local terms energy: -240.573324 where: bonds (distance) C4'-P energy: -77.615 bonds (distance) P-C4' energy: -71.857 flat angles C4'-P-C4' energy: -64.709 flat angles P-C4'-P energy: -28.576 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: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1564.784989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.784989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.784989 (E_RNA) where: Base-Base interactions energy: -1059.730 where: short stacking energy: -458.164 Base-Backbone interact. energy: -7.534 local terms energy: -497.521551 where: bonds (distance) C4'-P energy: -93.539 bonds (distance) P-C4' energy: -90.459 flat angles C4'-P-C4' energy: -104.453 flat angles P-C4'-P energy: -72.246 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: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1492.874929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.874929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.874929 (E_RNA) where: Base-Base interactions energy: -1003.552 where: short stacking energy: -443.737 Base-Backbone interact. energy: -1.189 local terms energy: -488.133835 where: bonds (distance) C4'-P energy: -88.419 bonds (distance) P-C4' energy: -95.862 flat angles C4'-P-C4' energy: -105.280 flat angles P-C4'-P energy: -65.958 tors. eta vs tors. theta energy: -132.614 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: 406 Temperature: 1.000000 Total energy: -1366.685182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.685182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.685182 (E_RNA) where: Base-Base interactions energy: -910.465 where: short stacking energy: -398.581 Base-Backbone interact. energy: -2.319 local terms energy: -453.900987 where: bonds (distance) C4'-P energy: -85.972 bonds (distance) P-C4' energy: -86.107 flat angles C4'-P-C4' energy: -94.321 flat angles P-C4'-P energy: -70.296 tors. eta vs tors. theta energy: -117.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1285.419176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.419176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.419176 (E_RNA) where: Base-Base interactions energy: -835.980 where: short stacking energy: -378.008 Base-Backbone interact. energy: -0.603 local terms energy: -448.836926 where: bonds (distance) C4'-P energy: -76.089 bonds (distance) P-C4' energy: -101.778 flat angles C4'-P-C4' energy: -111.436 flat angles P-C4'-P energy: -58.916 tors. eta vs tors. theta energy: -100.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1087.413711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.413711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.413711 (E_RNA) where: Base-Base interactions energy: -678.912 where: short stacking energy: -331.655 Base-Backbone interact. energy: -0.152 local terms energy: -408.349054 where: bonds (distance) C4'-P energy: -84.756 bonds (distance) P-C4' energy: -92.730 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -63.106 tors. eta vs tors. theta energy: -74.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1009.433751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.433751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.433751 (E_RNA) where: Base-Base interactions energy: -677.421 where: short stacking energy: -301.361 Base-Backbone interact. energy: -0.225 local terms energy: -331.788146 where: bonds (distance) C4'-P energy: -85.543 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -75.532 flat angles P-C4'-P energy: -33.372 tors. eta vs tors. theta energy: -60.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -812.422868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.422868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.422868 (E_RNA) where: Base-Base interactions energy: -470.416 where: short stacking energy: -226.422 Base-Backbone interact. energy: 3.078 local terms energy: -345.084928 where: bonds (distance) C4'-P energy: -88.867 bonds (distance) P-C4' energy: -78.635 flat angles C4'-P-C4' energy: -77.106 flat angles P-C4'-P energy: -60.372 tors. eta vs tors. theta energy: -40.104 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: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -735.380343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.380343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.380343 (E_RNA) where: Base-Base interactions energy: -414.711 where: short stacking energy: -207.100 Base-Backbone interact. energy: 4.025 local terms energy: -324.694212 where: bonds (distance) C4'-P energy: -73.261 bonds (distance) P-C4' energy: -87.911 flat angles C4'-P-C4' energy: -75.827 flat angles P-C4'-P energy: -56.435 tors. eta vs tors. theta energy: -31.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -598.064474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.064474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.064474 (E_RNA) where: Base-Base interactions energy: -321.590 where: short stacking energy: -171.310 Base-Backbone interact. energy: -0.035 local terms energy: -276.439017 where: bonds (distance) C4'-P energy: -84.672 bonds (distance) P-C4' energy: -69.042 flat angles C4'-P-C4' energy: -67.988 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -377.019575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.019575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.019575 (E_RNA) where: Base-Base interactions energy: -137.109 where: short stacking energy: -118.467 Base-Backbone interact. energy: -1.413 local terms energy: -238.498117 where: bonds (distance) C4'-P energy: -53.216 bonds (distance) P-C4' energy: -80.869 flat angles C4'-P-C4' energy: -73.993 flat angles P-C4'-P energy: -52.637 tors. eta vs tors. theta energy: 22.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1597.632686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.632686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.632686 (E_RNA) where: Base-Base interactions energy: -1075.836 where: short stacking energy: -468.652 Base-Backbone interact. energy: -2.936 local terms energy: -518.860693 where: bonds (distance) C4'-P energy: -98.884 bonds (distance) P-C4' energy: -95.008 flat angles C4'-P-C4' energy: -114.757 flat angles P-C4'-P energy: -75.005 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: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1481.130402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.130402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.130402 (E_RNA) where: Base-Base interactions energy: -986.671 where: short stacking energy: -451.675 Base-Backbone interact. energy: -2.288 local terms energy: -492.171360 where: bonds (distance) C4'-P energy: -97.902 bonds (distance) P-C4' energy: -95.154 flat angles C4'-P-C4' energy: -110.964 flat angles P-C4'-P energy: -63.884 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: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1349.427923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.427923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.427923 (E_RNA) where: Base-Base interactions energy: -882.773 where: short stacking energy: -410.703 Base-Backbone interact. energy: 0.963 local terms energy: -467.617342 where: bonds (distance) C4'-P energy: -88.085 bonds (distance) P-C4' energy: -93.079 flat angles C4'-P-C4' energy: -104.788 flat angles P-C4'-P energy: -61.022 tors. eta vs tors. theta energy: -120.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1319.652748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.652748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.652748 (E_RNA) where: Base-Base interactions energy: -870.771 where: short stacking energy: -404.665 Base-Backbone interact. energy: -1.826 local terms energy: -447.055714 where: bonds (distance) C4'-P energy: -82.828 bonds (distance) P-C4' energy: -83.656 flat angles C4'-P-C4' energy: -94.004 flat angles P-C4'-P energy: -60.960 tors. eta vs tors. theta energy: -125.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1114.774987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.774987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.774987 (E_RNA) where: Base-Base interactions energy: -696.954 where: short stacking energy: -313.835 Base-Backbone interact. energy: -3.334 local terms energy: -414.486897 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -85.016 flat angles C4'-P-C4' energy: -98.189 flat angles P-C4'-P energy: -59.017 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: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1024.354348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.354348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.354348 (E_RNA) where: Base-Base interactions energy: -682.858 where: short stacking energy: -322.092 Base-Backbone interact. energy: -1.599 local terms energy: -339.897293 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -70.798 flat angles C4'-P-C4' energy: -90.399 flat angles P-C4'-P energy: -48.605 tors. eta vs tors. theta energy: -64.010 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: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -802.213049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.213049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.213049 (E_RNA) where: Base-Base interactions energy: -471.989 where: short stacking energy: -224.863 Base-Backbone interact. energy: -1.281 local terms energy: -328.943344 where: bonds (distance) C4'-P energy: -74.666 bonds (distance) P-C4' energy: -75.957 flat angles C4'-P-C4' energy: -80.508 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -41.454 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: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -707.900678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.900678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.900678 (E_RNA) where: Base-Base interactions energy: -407.919 where: short stacking energy: -231.509 Base-Backbone interact. energy: -1.411 local terms energy: -298.570356 where: bonds (distance) C4'-P energy: -65.103 bonds (distance) P-C4' energy: -73.484 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -34.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -598.329912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.329912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.329912 (E_RNA) where: Base-Base interactions energy: -319.218 where: short stacking energy: -184.013 Base-Backbone interact. energy: -1.303 local terms energy: -277.808968 where: bonds (distance) C4'-P energy: -67.804 bonds (distance) P-C4' energy: -76.915 flat angles C4'-P-C4' energy: -76.320 flat angles P-C4'-P energy: -45.263 tors. eta vs tors. theta energy: -11.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -394.720829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.720829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.720829 (E_RNA) where: Base-Base interactions energy: -123.217 where: short stacking energy: -104.168 Base-Backbone interact. energy: -1.685 local terms energy: -269.819622 where: bonds (distance) C4'-P energy: -84.788 bonds (distance) P-C4' energy: -81.863 flat angles C4'-P-C4' energy: -62.137 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: 5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1568.657591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.657591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.657591 (E_RNA) where: Base-Base interactions energy: -1058.339 where: short stacking energy: -454.719 Base-Backbone interact. energy: -7.667 local terms energy: -502.651517 where: bonds (distance) C4'-P energy: -101.696 bonds (distance) P-C4' energy: -103.384 flat angles C4'-P-C4' energy: -106.448 flat angles P-C4'-P energy: -68.381 tors. eta vs tors. theta energy: -122.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1500.834641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.834641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.834641 (E_RNA) where: Base-Base interactions energy: -996.844 where: short stacking energy: -434.990 Base-Backbone interact. energy: -5.205 local terms energy: -498.785843 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -105.327 flat angles C4'-P-C4' energy: -107.071 flat angles P-C4'-P energy: -68.834 tors. eta vs tors. theta energy: -129.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1348.971939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.971939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.971939 (E_RNA) where: Base-Base interactions energy: -886.908 where: short stacking energy: -403.363 Base-Backbone interact. energy: 1.252 local terms energy: -463.316567 where: bonds (distance) C4'-P energy: -80.106 bonds (distance) P-C4' energy: -99.723 flat angles C4'-P-C4' energy: -102.004 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -109.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1296.158679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.158679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.158679 (E_RNA) where: Base-Base interactions energy: -831.750 where: short stacking energy: -400.321 Base-Backbone interact. energy: -1.657 local terms energy: -462.751318 where: bonds (distance) C4'-P energy: -96.853 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -97.593 flat angles P-C4'-P energy: -71.717 tors. eta vs tors. theta energy: -123.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1167.315798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.315798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.315798 (E_RNA) where: Base-Base interactions energy: -747.366 where: short stacking energy: -360.655 Base-Backbone interact. energy: 0.882 local terms energy: -420.831761 where: bonds (distance) C4'-P energy: -80.899 bonds (distance) P-C4' energy: -93.018 flat angles C4'-P-C4' energy: -91.889 flat angles P-C4'-P energy: -56.430 tors. eta vs tors. theta energy: -98.597 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: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1043.979026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.979026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.979026 (E_RNA) where: Base-Base interactions energy: -667.341 where: short stacking energy: -298.052 Base-Backbone interact. energy: -0.542 local terms energy: -376.096011 where: bonds (distance) C4'-P energy: -93.504 bonds (distance) P-C4' energy: -85.002 flat angles C4'-P-C4' energy: -87.406 flat angles P-C4'-P energy: -49.448 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: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -806.423793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.423793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.423793 (E_RNA) where: Base-Base interactions energy: -496.775 where: short stacking energy: -233.361 Base-Backbone interact. energy: -1.669 local terms energy: -307.979354 where: bonds (distance) C4'-P energy: -69.630 bonds (distance) P-C4' energy: -71.448 flat angles C4'-P-C4' energy: -78.996 flat angles P-C4'-P energy: -59.078 tors. eta vs tors. theta energy: -28.827 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: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -723.345336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.345336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.345336 (E_RNA) where: Base-Base interactions energy: -419.909 where: short stacking energy: -217.029 Base-Backbone interact. energy: -0.591 local terms energy: -302.844996 where: bonds (distance) C4'-P energy: -63.129 bonds (distance) P-C4' energy: -81.696 flat angles C4'-P-C4' energy: -92.370 flat angles P-C4'-P energy: -45.528 tors. eta vs tors. theta energy: -20.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -594.773172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.773172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.773172 (E_RNA) where: Base-Base interactions energy: -298.550 where: short stacking energy: -146.067 Base-Backbone interact. energy: -0.083 local terms energy: -296.140323 where: bonds (distance) C4'-P energy: -87.128 bonds (distance) P-C4' energy: -81.236 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -50.158 tors. eta vs tors. theta energy: -7.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -366.049689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.049689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.049689 (E_RNA) where: Base-Base interactions energy: -117.971 where: short stacking energy: -97.366 Base-Backbone interact. energy: 0.240 local terms energy: -248.319469 where: bonds (distance) C4'-P energy: -73.781 bonds (distance) P-C4' energy: -78.019 flat angles C4'-P-C4' energy: -75.781 flat angles P-C4'-P energy: -32.955 tors. eta vs tors. theta energy: 12.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1596.046020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.046020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.046020 (E_RNA) where: Base-Base interactions energy: -1087.424 where: short stacking energy: -465.750 Base-Backbone interact. energy: -6.600 local terms energy: -502.022569 where: bonds (distance) C4'-P energy: -86.308 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -106.608 flat angles P-C4'-P energy: -72.465 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: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1520.027470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.027470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.027470 (E_RNA) where: Base-Base interactions energy: -1016.466 where: short stacking energy: -437.499 Base-Backbone interact. energy: -3.258 local terms energy: -500.302922 where: bonds (distance) C4'-P energy: -93.381 bonds (distance) P-C4' energy: -98.961 flat angles C4'-P-C4' energy: -106.063 flat angles P-C4'-P energy: -63.497 tors. eta vs tors. theta energy: -138.401 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: 409 Temperature: 1.000000 Total energy: -1369.494039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.494039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.494039 (E_RNA) where: Base-Base interactions energy: -895.457 where: short stacking energy: -403.651 Base-Backbone interact. energy: -1.834 local terms energy: -472.202762 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -92.446 flat angles C4'-P-C4' energy: -105.281 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -111.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1282.073756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.073756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.073756 (E_RNA) where: Base-Base interactions energy: -834.646 where: short stacking energy: -385.866 Base-Backbone interact. energy: -0.760 local terms energy: -446.667294 where: bonds (distance) C4'-P energy: -82.901 bonds (distance) P-C4' energy: -90.587 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -78.848 tors. eta vs tors. theta energy: -107.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1160.206643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.206643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.206643 (E_RNA) where: Base-Base interactions energy: -760.020 where: short stacking energy: -366.547 Base-Backbone interact. energy: -1.726 local terms energy: -398.460890 where: bonds (distance) C4'-P energy: -69.173 bonds (distance) P-C4' energy: -90.669 flat angles C4'-P-C4' energy: -95.568 flat angles P-C4'-P energy: -59.777 tors. eta vs tors. theta energy: -83.275 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: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1021.535337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.535337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.535337 (E_RNA) where: Base-Base interactions energy: -597.595 where: short stacking energy: -281.326 Base-Backbone interact. energy: -2.174 local terms energy: -421.766997 where: bonds (distance) C4'-P energy: -95.914 bonds (distance) P-C4' energy: -90.003 flat angles C4'-P-C4' energy: -96.828 flat angles P-C4'-P energy: -71.571 tors. eta vs tors. theta energy: -67.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -798.127589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.127589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.127589 (E_RNA) where: Base-Base interactions energy: -459.101 where: short stacking energy: -239.064 Base-Backbone interact. energy: -0.185 local terms energy: -338.840747 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -85.324 flat angles C4'-P-C4' energy: -84.940 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -30.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -683.584825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.584825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.584825 (E_RNA) where: Base-Base interactions energy: -361.057 where: short stacking energy: -176.133 Base-Backbone interact. energy: -1.675 local terms energy: -320.853024 where: bonds (distance) C4'-P energy: -83.947 bonds (distance) P-C4' energy: -87.227 flat angles C4'-P-C4' energy: -77.413 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -17.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -632.114289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.114289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.114289 (E_RNA) where: Base-Base interactions energy: -323.912 where: short stacking energy: -181.714 Base-Backbone interact. energy: 1.394 local terms energy: -309.596963 where: bonds (distance) C4'-P energy: -83.166 bonds (distance) P-C4' energy: -85.736 flat angles C4'-P-C4' energy: -69.578 flat angles P-C4'-P energy: -40.536 tors. eta vs tors. theta energy: -30.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -381.774559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.774559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.774559 (E_RNA) where: Base-Base interactions energy: -132.723 where: short stacking energy: -103.615 Base-Backbone interact. energy: 5.141 local terms energy: -254.192457 where: bonds (distance) C4'-P energy: -82.380 bonds (distance) P-C4' energy: -89.353 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -43.773 tors. eta vs tors. theta energy: 28.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1552.760500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.760500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.760500 (E_RNA) where: Base-Base interactions energy: -1048.611 where: short stacking energy: -473.425 Base-Backbone interact. energy: -1.172 local terms energy: -502.977800 where: bonds (distance) C4'-P energy: -87.360 bonds (distance) P-C4' energy: -102.933 flat angles C4'-P-C4' energy: -97.779 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -136.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1512.475494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.475494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.475494 (E_RNA) where: Base-Base interactions energy: -1006.043 where: short stacking energy: -448.338 Base-Backbone interact. energy: -2.992 local terms energy: -503.440833 where: bonds (distance) C4'-P energy: -94.382 bonds (distance) P-C4' energy: -98.128 flat angles C4'-P-C4' energy: -103.343 flat angles P-C4'-P energy: -75.172 tors. eta vs tors. theta energy: -132.416 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: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1372.585104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.585104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.585104 (E_RNA) where: Base-Base interactions energy: -912.407 where: short stacking energy: -416.040 Base-Backbone interact. energy: -0.330 local terms energy: -459.848581 where: bonds (distance) C4'-P energy: -98.022 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -100.398 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: -110.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1267.527126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.527126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.527126 (E_RNA) where: Base-Base interactions energy: -835.010 where: short stacking energy: -363.681 Base-Backbone interact. energy: -0.868 local terms energy: -431.649015 where: bonds (distance) C4'-P energy: -72.132 bonds (distance) P-C4' energy: -99.778 flat angles C4'-P-C4' energy: -88.762 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -108.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1149.395990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.395990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.395990 (E_RNA) where: Base-Base interactions energy: -715.292 where: short stacking energy: -332.219 Base-Backbone interact. energy: -0.998 local terms energy: -433.105731 where: bonds (distance) C4'-P energy: -89.489 bonds (distance) P-C4' energy: -85.518 flat angles C4'-P-C4' energy: -104.097 flat angles P-C4'-P energy: -62.779 tors. eta vs tors. theta energy: -91.223 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: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1028.031534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.031534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.031534 (E_RNA) where: Base-Base interactions energy: -650.667 where: short stacking energy: -309.050 Base-Backbone interact. energy: 0.132 local terms energy: -377.496223 where: bonds (distance) C4'-P energy: -96.854 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -82.729 flat angles P-C4'-P energy: -65.422 tors. eta vs tors. theta energy: -57.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -815.362127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.362127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.362127 (E_RNA) where: Base-Base interactions energy: -486.392 where: short stacking energy: -243.487 Base-Backbone interact. energy: -2.784 local terms energy: -326.186372 where: bonds (distance) C4'-P energy: -73.762 bonds (distance) P-C4' energy: -77.010 flat angles C4'-P-C4' energy: -78.220 flat angles P-C4'-P energy: -55.569 tors. eta vs tors. theta energy: -41.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -737.335303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.335303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.335303 (E_RNA) where: Base-Base interactions energy: -422.908 where: short stacking energy: -231.514 Base-Backbone interact. energy: -1.663 local terms energy: -312.764653 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -89.485 flat angles C4'-P-C4' energy: -78.156 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -35.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -599.545501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.545501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.545501 (E_RNA) where: Base-Base interactions energy: -318.485 where: short stacking energy: -168.326 Base-Backbone interact. energy: -0.998 local terms energy: -280.063106 where: bonds (distance) C4'-P energy: -77.265 bonds (distance) P-C4' energy: -83.973 flat angles C4'-P-C4' energy: -66.761 flat angles P-C4'-P energy: -30.338 tors. eta vs tors. theta energy: -21.725 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: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -377.551326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.551326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.551326 (E_RNA) where: Base-Base interactions energy: -134.943 where: short stacking energy: -114.668 Base-Backbone interact. energy: 3.732 local terms energy: -246.340754 where: bonds (distance) C4'-P energy: -75.086 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -68.243 flat angles P-C4'-P energy: -16.489 tors. eta vs tors. theta energy: 8.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1559.405338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.405338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.405338 (E_RNA) where: Base-Base interactions energy: -1068.680 where: short stacking energy: -461.097 Base-Backbone interact. energy: -0.345 local terms energy: -490.380975 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -100.964 flat angles P-C4'-P energy: -69.911 tors. eta vs tors. theta energy: -132.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1508.219543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.219543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.219543 (E_RNA) where: Base-Base interactions energy: -1021.449 where: short stacking energy: -454.613 Base-Backbone interact. energy: -1.757 local terms energy: -485.014050 where: bonds (distance) C4'-P energy: -103.649 bonds (distance) P-C4' energy: -82.611 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -61.163 tors. eta vs tors. theta energy: -141.777 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: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1391.147029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.147029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.147029 (E_RNA) where: Base-Base interactions energy: -932.833 where: short stacking energy: -412.428 Base-Backbone interact. energy: -2.545 local terms energy: -455.768713 where: bonds (distance) C4'-P energy: -80.500 bonds (distance) P-C4' energy: -84.599 flat angles C4'-P-C4' energy: -94.528 flat angles P-C4'-P energy: -77.051 tors. eta vs tors. theta energy: -119.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1243.199945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.199945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.199945 (E_RNA) where: Base-Base interactions energy: -799.749 where: short stacking energy: -348.326 Base-Backbone interact. energy: -1.078 local terms energy: -442.373639 where: bonds (distance) C4'-P energy: -87.959 bonds (distance) P-C4' energy: -97.838 flat angles C4'-P-C4' energy: -91.640 flat angles P-C4'-P energy: -72.186 tors. eta vs tors. theta energy: -92.751 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: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1142.781380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.781380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.781380 (E_RNA) where: Base-Base interactions energy: -724.423 where: short stacking energy: -333.744 Base-Backbone interact. energy: -1.277 local terms energy: -417.081200 where: bonds (distance) C4'-P energy: -91.721 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -87.406 flat angles P-C4'-P energy: -63.052 tors. eta vs tors. theta energy: -82.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1055.729729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.729729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.729729 (E_RNA) where: Base-Base interactions energy: -665.638 where: short stacking energy: -309.444 Base-Backbone interact. energy: -0.224 local terms energy: -389.867313 where: bonds (distance) C4'-P energy: -91.670 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -89.958 flat angles P-C4'-P energy: -47.295 tors. eta vs tors. theta energy: -78.355 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: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -766.959111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.959111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.959111 (E_RNA) where: Base-Base interactions energy: -432.660 where: short stacking energy: -223.653 Base-Backbone interact. energy: 0.235 local terms energy: -334.533617 where: bonds (distance) C4'-P energy: -78.949 bonds (distance) P-C4' energy: -99.031 flat angles C4'-P-C4' energy: -72.173 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -26.345 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: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -716.022632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.022632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.022632 (E_RNA) where: Base-Base interactions energy: -419.600 where: short stacking energy: -204.779 Base-Backbone interact. energy: 3.396 local terms energy: -299.819270 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -74.079 flat angles C4'-P-C4' energy: -82.274 flat angles P-C4'-P energy: -40.227 tors. eta vs tors. theta energy: -32.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -621.358257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.358257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.358257 (E_RNA) where: Base-Base interactions energy: -329.395 where: short stacking energy: -166.188 Base-Backbone interact. energy: -0.536 local terms energy: -291.426575 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -59.742 flat angles P-C4'-P energy: -44.695 tors. eta vs tors. theta energy: -9.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -388.254666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.254666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.254666 (E_RNA) where: Base-Base interactions energy: -129.731 where: short stacking energy: -109.300 Base-Backbone interact. energy: 0.121 local terms energy: -258.644307 where: bonds (distance) C4'-P energy: -78.066 bonds (distance) P-C4' energy: -85.153 flat angles C4'-P-C4' energy: -48.762 flat angles P-C4'-P energy: -42.772 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1557.556064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.556064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.556064 (E_RNA) where: Base-Base interactions energy: -1044.060 where: short stacking energy: -455.772 Base-Backbone interact. energy: -6.498 local terms energy: -506.997846 where: bonds (distance) C4'-P energy: -97.055 bonds (distance) P-C4' energy: -102.691 flat angles C4'-P-C4' energy: -107.872 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -130.429 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1489.061886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.061886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.061886 (E_RNA) where: Base-Base interactions energy: -990.088 where: short stacking energy: -436.001 Base-Backbone interact. energy: 0.338 local terms energy: -499.312646 where: bonds (distance) C4'-P energy: -95.731 bonds (distance) P-C4' energy: -96.879 flat angles C4'-P-C4' energy: -103.833 flat angles P-C4'-P energy: -71.055 tors. eta vs tors. theta energy: -131.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1347.441328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.441328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.441328 (E_RNA) where: Base-Base interactions energy: -916.110 where: short stacking energy: -407.621 Base-Backbone interact. energy: 4.259 local terms energy: -435.590583 where: bonds (distance) C4'-P energy: -78.892 bonds (distance) P-C4' energy: -84.115 flat angles C4'-P-C4' energy: -99.779 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -117.636 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: 412 Temperature: 1.050000 Total energy: -1289.115209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.115209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.115209 (E_RNA) where: Base-Base interactions energy: -853.169 where: short stacking energy: -360.035 Base-Backbone interact. energy: -2.483 local terms energy: -433.462543 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -87.926 flat angles P-C4'-P energy: -69.724 tors. eta vs tors. theta energy: -98.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1180.702437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.702437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.702437 (E_RNA) where: Base-Base interactions energy: -758.155 where: short stacking energy: -350.156 Base-Backbone interact. energy: 0.517 local terms energy: -423.064437 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -86.464 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -91.407 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: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1040.540834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.540834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.540834 (E_RNA) where: Base-Base interactions energy: -644.758 where: short stacking energy: -301.874 Base-Backbone interact. energy: -1.592 local terms energy: -394.190849 where: bonds (distance) C4'-P energy: -82.941 bonds (distance) P-C4' energy: -87.491 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -53.366 tors. eta vs tors. theta energy: -79.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -781.302218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.302218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.302218 (E_RNA) where: Base-Base interactions energy: -461.625 where: short stacking energy: -239.632 Base-Backbone interact. energy: 3.183 local terms energy: -322.860567 where: bonds (distance) C4'-P energy: -89.648 bonds (distance) P-C4' energy: -71.104 flat angles C4'-P-C4' energy: -75.064 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -38.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -697.974703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.974703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.974703 (E_RNA) where: Base-Base interactions energy: -373.763 where: short stacking energy: -195.082 Base-Backbone interact. energy: -2.368 local terms energy: -321.843787 where: bonds (distance) C4'-P energy: -70.628 bonds (distance) P-C4' energy: -86.910 flat angles C4'-P-C4' energy: -83.802 flat angles P-C4'-P energy: -47.654 tors. eta vs tors. theta energy: -32.850 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: 412 Temperature: 1.300000 Total energy: -608.059568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.059568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.059568 (E_RNA) where: Base-Base interactions energy: -293.120 where: short stacking energy: -169.923 Base-Backbone interact. energy: -3.334 local terms energy: -311.605336 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -90.738 flat angles P-C4'-P energy: -52.029 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -383.939062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.939062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.939062 (E_RNA) where: Base-Base interactions energy: -137.140 where: short stacking energy: -110.738 Base-Backbone interact. energy: 0.262 local terms energy: -247.061376 where: bonds (distance) C4'-P energy: -67.247 bonds (distance) P-C4' energy: -82.057 flat angles C4'-P-C4' energy: -61.637 flat angles P-C4'-P energy: -35.079 tors. eta vs tors. theta energy: -1.043 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: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1562.512317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.512317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.512317 (E_RNA) where: Base-Base interactions energy: -1051.351 where: short stacking energy: -439.817 Base-Backbone interact. energy: -3.276 local terms energy: -507.884723 where: bonds (distance) C4'-P energy: -99.516 bonds (distance) P-C4' energy: -93.083 flat angles C4'-P-C4' energy: -110.872 flat angles P-C4'-P energy: -72.955 tors. eta vs tors. theta energy: -131.458 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: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1498.237067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.237067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.237067 (E_RNA) where: Base-Base interactions energy: -1020.364 where: short stacking energy: -449.294 Base-Backbone interact. energy: 0.797 local terms energy: -478.669778 where: bonds (distance) C4'-P energy: -85.125 bonds (distance) P-C4' energy: -91.453 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -64.231 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: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1353.778691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.778691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.778691 (E_RNA) where: Base-Base interactions energy: -896.603 where: short stacking energy: -418.266 Base-Backbone interact. energy: 0.323 local terms energy: -457.498682 where: bonds (distance) C4'-P energy: -80.968 bonds (distance) P-C4' energy: -90.074 flat angles C4'-P-C4' energy: -100.743 flat angles P-C4'-P energy: -64.265 tors. eta vs tors. theta energy: -121.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1287.712474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.712474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.712474 (E_RNA) where: Base-Base interactions energy: -848.000 where: short stacking energy: -377.267 Base-Backbone interact. energy: -4.014 local terms energy: -435.698757 where: bonds (distance) C4'-P energy: -79.271 bonds (distance) P-C4' energy: -94.045 flat angles C4'-P-C4' energy: -84.947 flat angles P-C4'-P energy: -61.405 tors. eta vs tors. theta energy: -116.030 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: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1182.302284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.302284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.302284 (E_RNA) where: Base-Base interactions energy: -752.077 where: short stacking energy: -368.016 Base-Backbone interact. energy: 1.548 local terms energy: -431.772980 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -81.334 flat angles C4'-P-C4' energy: -100.998 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -93.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1010.840941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.840941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.840941 (E_RNA) where: Base-Base interactions energy: -660.360 where: short stacking energy: -310.125 Base-Backbone interact. energy: -1.560 local terms energy: -348.921212 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -79.090 flat angles P-C4'-P energy: -63.581 tors. eta vs tors. theta energy: -69.576 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: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -766.230500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.230500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.230500 (E_RNA) where: Base-Base interactions energy: -453.329 where: short stacking energy: -228.703 Base-Backbone interact. energy: -0.736 local terms energy: -312.165196 where: bonds (distance) C4'-P energy: -83.674 bonds (distance) P-C4' energy: -70.173 flat angles C4'-P-C4' energy: -74.287 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -32.031 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: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -641.744664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.744664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.744664 (E_RNA) where: Base-Base interactions energy: -325.805 where: short stacking energy: -181.614 Base-Backbone interact. energy: 1.094 local terms energy: -317.033905 where: bonds (distance) C4'-P energy: -80.697 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -82.428 flat angles P-C4'-P energy: -55.461 tors. eta vs tors. theta energy: -15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -671.872230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.872230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.872230 (E_RNA) where: Base-Base interactions energy: -388.910 where: short stacking energy: -193.010 Base-Backbone interact. energy: 7.755 local terms energy: -290.716997 where: bonds (distance) C4'-P energy: -75.296 bonds (distance) P-C4' energy: -74.333 flat angles C4'-P-C4' energy: -71.954 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -20.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -408.931473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.931473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.931473 (E_RNA) where: Base-Base interactions energy: -152.386 where: short stacking energy: -127.928 Base-Backbone interact. energy: -1.482 local terms energy: -255.062887 where: bonds (distance) C4'-P energy: -79.677 bonds (distance) P-C4' energy: -82.651 flat angles C4'-P-C4' energy: -64.384 flat angles P-C4'-P energy: -34.008 tors. eta vs tors. theta energy: 5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1539.847931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.847931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.847931 (E_RNA) where: Base-Base interactions energy: -1042.951 where: short stacking energy: -460.239 Base-Backbone interact. energy: -2.243 local terms energy: -494.653935 where: bonds (distance) C4'-P energy: -86.065 bonds (distance) P-C4' energy: -90.739 flat angles C4'-P-C4' energy: -107.073 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: -144.157 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: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1486.917936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.917936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.917936 (E_RNA) where: Base-Base interactions energy: -1019.296 where: short stacking energy: -443.687 Base-Backbone interact. energy: -2.229 local terms energy: -465.393497 where: bonds (distance) C4'-P energy: -99.236 bonds (distance) P-C4' energy: -97.542 flat angles C4'-P-C4' energy: -95.191 flat angles P-C4'-P energy: -48.007 tors. eta vs tors. theta energy: -125.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1338.949271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.949271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.949271 (E_RNA) where: Base-Base interactions energy: -877.204 where: short stacking energy: -407.136 Base-Backbone interact. energy: -0.094 local terms energy: -461.651508 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -86.101 flat angles C4'-P-C4' energy: -106.603 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -117.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1239.230466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.230466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.230466 (E_RNA) where: Base-Base interactions energy: -812.751 where: short stacking energy: -362.600 Base-Backbone interact. energy: -1.493 local terms energy: -424.986160 where: bonds (distance) C4'-P energy: -89.506 bonds (distance) P-C4' energy: -78.325 flat angles C4'-P-C4' energy: -96.011 flat angles P-C4'-P energy: -69.010 tors. eta vs tors. theta energy: -92.134 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: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1152.403587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.403587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.403587 (E_RNA) where: Base-Base interactions energy: -737.726 where: short stacking energy: -353.106 Base-Backbone interact. energy: 0.943 local terms energy: -415.621165 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -85.018 flat angles C4'-P-C4' energy: -104.106 flat angles P-C4'-P energy: -50.408 tors. eta vs tors. theta energy: -86.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1027.013898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.013898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.013898 (E_RNA) where: Base-Base interactions energy: -642.528 where: short stacking energy: -320.649 Base-Backbone interact. energy: -0.576 local terms energy: -383.909520 where: bonds (distance) C4'-P energy: -90.535 bonds (distance) P-C4' energy: -83.549 flat angles C4'-P-C4' energy: -91.734 flat angles P-C4'-P energy: -52.510 tors. eta vs tors. theta energy: -65.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -813.951381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.951381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.951381 (E_RNA) where: Base-Base interactions energy: -481.010 where: short stacking energy: -252.303 Base-Backbone interact. energy: 2.305 local terms energy: -335.247264 where: bonds (distance) C4'-P energy: -67.884 bonds (distance) P-C4' energy: -82.597 flat angles C4'-P-C4' energy: -81.778 flat angles P-C4'-P energy: -50.771 tors. eta vs tors. theta energy: -52.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -692.585967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.585967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.585967 (E_RNA) where: Base-Base interactions energy: -383.067 where: short stacking energy: -210.973 Base-Backbone interact. energy: 4.708 local terms energy: -314.226880 where: bonds (distance) C4'-P energy: -70.342 bonds (distance) P-C4' energy: -74.189 flat angles C4'-P-C4' energy: -81.062 flat angles P-C4'-P energy: -47.981 tors. eta vs tors. theta energy: -40.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -660.766380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.766380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.766380 (E_RNA) where: Base-Base interactions energy: -348.371 where: short stacking energy: -170.054 Base-Backbone interact. energy: 4.377 local terms energy: -316.772068 where: bonds (distance) C4'-P energy: -88.836 bonds (distance) P-C4' energy: -84.566 flat angles C4'-P-C4' energy: -85.750 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -14.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -377.045093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.045093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.045093 (E_RNA) where: Base-Base interactions energy: -113.456 where: short stacking energy: -99.050 Base-Backbone interact. energy: 0.783 local terms energy: -264.372072 where: bonds (distance) C4'-P energy: -80.366 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -61.050 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: 13.880 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: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1543.271461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.271461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.271461 (E_RNA) where: Base-Base interactions energy: -1058.179 where: short stacking energy: -455.551 Base-Backbone interact. energy: -2.174 local terms energy: -482.917564 where: bonds (distance) C4'-P energy: -94.716 bonds (distance) P-C4' energy: -95.332 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -130.245 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: 415 Temperature: 0.950000 Total energy: -1510.332773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.332773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.332773 (E_RNA) where: Base-Base interactions energy: -1021.886 where: short stacking energy: -446.110 Base-Backbone interact. energy: -1.875 local terms energy: -486.571889 where: bonds (distance) C4'-P energy: -102.855 bonds (distance) P-C4' energy: -89.528 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -63.903 tors. eta vs tors. theta energy: -129.818 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: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1321.386450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.386450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.386450 (E_RNA) where: Base-Base interactions energy: -854.270 where: short stacking energy: -401.758 Base-Backbone interact. energy: -1.900 local terms energy: -465.216278 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -97.106 flat angles C4'-P-C4' energy: -110.859 flat angles P-C4'-P energy: -68.257 tors. eta vs tors. theta energy: -111.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1240.294893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.294893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.294893 (E_RNA) where: Base-Base interactions energy: -776.673 where: short stacking energy: -388.540 Base-Backbone interact. energy: -0.598 local terms energy: -463.024324 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -100.242 flat angles P-C4'-P energy: -63.386 tors. eta vs tors. theta energy: -114.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1209.414762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.414762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.414762 (E_RNA) where: Base-Base interactions energy: -781.304 where: short stacking energy: -346.049 Base-Backbone interact. energy: 0.388 local terms energy: -428.498682 where: bonds (distance) C4'-P energy: -79.293 bonds (distance) P-C4' energy: -90.686 flat angles C4'-P-C4' energy: -96.594 flat angles P-C4'-P energy: -58.287 tors. eta vs tors. theta energy: -103.640 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: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1036.321963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.321963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.321963 (E_RNA) where: Base-Base interactions energy: -647.421 where: short stacking energy: -310.953 Base-Backbone interact. energy: -1.711 local terms energy: -387.190420 where: bonds (distance) C4'-P energy: -88.604 bonds (distance) P-C4' energy: -94.967 flat angles C4'-P-C4' energy: -85.564 flat angles P-C4'-P energy: -54.725 tors. eta vs tors. theta energy: -63.329 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: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -797.680182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.680182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.680182 (E_RNA) where: Base-Base interactions energy: -452.135 where: short stacking energy: -220.797 Base-Backbone interact. energy: -4.182 local terms energy: -341.363017 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -84.204 flat angles C4'-P-C4' energy: -80.142 flat angles P-C4'-P energy: -50.113 tors. eta vs tors. theta energy: -46.973 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: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -695.255124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.255124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.255124 (E_RNA) where: Base-Base interactions energy: -357.371 where: short stacking energy: -186.405 Base-Backbone interact. energy: 0.068 local terms energy: -337.952857 where: bonds (distance) C4'-P energy: -92.806 bonds (distance) P-C4' energy: -80.717 flat angles C4'-P-C4' energy: -79.789 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -27.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -666.537626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.537626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.537626 (E_RNA) where: Base-Base interactions energy: -384.879 where: short stacking energy: -166.561 Base-Backbone interact. energy: 2.414 local terms energy: -284.072962 where: bonds (distance) C4'-P energy: -78.987 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -67.020 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -7.592 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: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -367.942181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.942181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.942181 (E_RNA) where: Base-Base interactions energy: -135.078 where: short stacking energy: -126.137 Base-Backbone interact. energy: 1.718 local terms energy: -234.582608 where: bonds (distance) C4'-P energy: -74.487 bonds (distance) P-C4' energy: -75.174 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -32.427 tors. eta vs tors. theta energy: 9.539 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: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1578.978906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.978906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.978906 (E_RNA) where: Base-Base interactions energy: -1093.511 where: short stacking energy: -474.677 Base-Backbone interact. energy: 0.445 local terms energy: -485.912906 where: bonds (distance) C4'-P energy: -79.520 bonds (distance) P-C4' energy: -101.383 flat angles C4'-P-C4' energy: -100.962 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: -138.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1496.619408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.619408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.619408 (E_RNA) where: Base-Base interactions energy: -1005.324 where: short stacking energy: -446.226 Base-Backbone interact. energy: -3.051 local terms energy: -488.244293 where: bonds (distance) C4'-P energy: -95.908 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: -132.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1363.207306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.207306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.207306 (E_RNA) where: Base-Base interactions energy: -886.978 where: short stacking energy: -399.847 Base-Backbone interact. energy: -1.499 local terms energy: -474.730670 where: bonds (distance) C4'-P energy: -88.720 bonds (distance) P-C4' energy: -91.694 flat angles C4'-P-C4' energy: -100.895 flat angles P-C4'-P energy: -64.474 tors. eta vs tors. theta energy: -128.947 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: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1243.453772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.453772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.453772 (E_RNA) where: Base-Base interactions energy: -799.473 where: short stacking energy: -398.577 Base-Backbone interact. energy: -1.698 local terms energy: -442.282664 where: bonds (distance) C4'-P energy: -75.340 bonds (distance) P-C4' energy: -89.193 flat angles C4'-P-C4' energy: -99.815 flat angles P-C4'-P energy: -65.048 tors. eta vs tors. theta energy: -112.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1188.049835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.049835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.049835 (E_RNA) where: Base-Base interactions energy: -762.378 where: short stacking energy: -352.573 Base-Backbone interact. energy: -2.303 local terms energy: -423.369353 where: bonds (distance) C4'-P energy: -81.993 bonds (distance) P-C4' energy: -83.355 flat angles C4'-P-C4' energy: -100.989 flat angles P-C4'-P energy: -61.862 tors. eta vs tors. theta energy: -95.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1082.890499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.890499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.890499 (E_RNA) where: Base-Base interactions energy: -686.155 where: short stacking energy: -322.650 Base-Backbone interact. energy: -1.838 local terms energy: -394.897556 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -69.330 flat angles C4'-P-C4' energy: -91.806 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -78.190 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: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -787.260065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.260065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.260065 (E_RNA) where: Base-Base interactions energy: -488.341 where: short stacking energy: -244.522 Base-Backbone interact. energy: -0.886 local terms energy: -298.032828 where: bonds (distance) C4'-P energy: -69.188 bonds (distance) P-C4' energy: -72.620 flat angles C4'-P-C4' energy: -73.340 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -36.885 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: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -627.995881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.995881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.995881 (E_RNA) where: Base-Base interactions energy: -319.141 where: short stacking energy: -179.593 Base-Backbone interact. energy: 0.305 local terms energy: -309.159825 where: bonds (distance) C4'-P energy: -67.115 bonds (distance) P-C4' energy: -97.186 flat angles C4'-P-C4' energy: -77.052 flat angles P-C4'-P energy: -51.082 tors. eta vs tors. theta energy: -16.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -639.261397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.261397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.261397 (E_RNA) where: Base-Base interactions energy: -365.238 where: short stacking energy: -168.052 Base-Backbone interact. energy: 7.433 local terms energy: -281.456819 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -72.753 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -358.494685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.494685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.494685 (E_RNA) where: Base-Base interactions energy: -111.300 where: short stacking energy: -101.988 Base-Backbone interact. energy: 3.825 local terms energy: -251.019148 where: bonds (distance) C4'-P energy: -66.161 bonds (distance) P-C4' energy: -74.993 flat angles C4'-P-C4' energy: -68.383 flat angles P-C4'-P energy: -53.656 tors. eta vs tors. theta energy: 12.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1595.058233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.058233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.058233 (E_RNA) where: Base-Base interactions energy: -1090.023 where: short stacking energy: -469.986 Base-Backbone interact. energy: -0.791 local terms energy: -504.244450 where: bonds (distance) C4'-P energy: -90.493 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -110.370 flat angles P-C4'-P energy: -74.021 tors. eta vs tors. theta energy: -139.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1514.578294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.578294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.578294 (E_RNA) where: Base-Base interactions energy: -1012.041 where: short stacking energy: -444.618 Base-Backbone interact. energy: -4.388 local terms energy: -498.149861 where: bonds (distance) C4'-P energy: -96.473 bonds (distance) P-C4' energy: -88.019 flat angles C4'-P-C4' energy: -106.651 flat angles P-C4'-P energy: -68.604 tors. eta vs tors. theta energy: -138.403 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: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1364.027465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.027465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.027465 (E_RNA) where: Base-Base interactions energy: -897.713 where: short stacking energy: -419.111 Base-Backbone interact. energy: -1.074 local terms energy: -465.239587 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -95.588 flat angles C4'-P-C4' energy: -106.051 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -115.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1199.397352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.397352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.397352 (E_RNA) where: Base-Base interactions energy: -784.129 where: short stacking energy: -348.788 Base-Backbone interact. energy: -2.262 local terms energy: -413.006849 where: bonds (distance) C4'-P energy: -84.234 bonds (distance) P-C4' energy: -87.965 flat angles C4'-P-C4' energy: -96.995 flat angles P-C4'-P energy: -60.525 tors. eta vs tors. theta energy: -83.288 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: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1202.950559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.950559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.950559 (E_RNA) where: Base-Base interactions energy: -775.434 where: short stacking energy: -356.680 Base-Backbone interact. energy: 1.495 local terms energy: -429.011794 where: bonds (distance) C4'-P energy: -79.149 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -110.931 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -98.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1069.083384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.083384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.083384 (E_RNA) where: Base-Base interactions energy: -687.754 where: short stacking energy: -316.779 Base-Backbone interact. energy: 1.414 local terms energy: -382.743860 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -89.222 flat angles C4'-P-C4' energy: -82.205 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -72.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -810.820822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.820822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.820822 (E_RNA) where: Base-Base interactions energy: -489.791 where: short stacking energy: -236.354 Base-Backbone interact. energy: -1.993 local terms energy: -319.036534 where: bonds (distance) C4'-P energy: -70.636 bonds (distance) P-C4' energy: -82.027 flat angles C4'-P-C4' energy: -90.878 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -31.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -643.336189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.336189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.336189 (E_RNA) where: Base-Base interactions energy: -333.109 where: short stacking energy: -189.926 Base-Backbone interact. energy: 1.842 local terms energy: -312.069248 where: bonds (distance) C4'-P energy: -90.379 bonds (distance) P-C4' energy: -99.519 flat angles C4'-P-C4' energy: -69.378 flat angles P-C4'-P energy: -31.440 tors. eta vs tors. theta energy: -21.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -612.137234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.137234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.137234 (E_RNA) where: Base-Base interactions energy: -313.883 where: short stacking energy: -166.851 Base-Backbone interact. energy: -0.366 local terms energy: -297.887408 where: bonds (distance) C4'-P energy: -67.644 bonds (distance) P-C4' energy: -90.496 flat angles C4'-P-C4' energy: -69.946 flat angles P-C4'-P energy: -53.400 tors. eta vs tors. theta energy: -16.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -374.709329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.709329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.709329 (E_RNA) where: Base-Base interactions energy: -132.726 where: short stacking energy: -105.839 Base-Backbone interact. energy: -5.495 local terms energy: -236.487973 where: bonds (distance) C4'-P energy: -75.956 bonds (distance) P-C4' energy: -82.291 flat angles C4'-P-C4' energy: -60.499 flat angles P-C4'-P energy: -33.302 tors. eta vs tors. theta energy: 15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1578.435623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.435623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.435623 (E_RNA) where: Base-Base interactions energy: -1070.832 where: short stacking energy: -460.948 Base-Backbone interact. energy: -3.608 local terms energy: -503.995217 where: bonds (distance) C4'-P energy: -94.492 bonds (distance) P-C4' energy: -95.815 flat angles C4'-P-C4' energy: -109.116 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -128.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1501.055626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.055626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.055626 (E_RNA) where: Base-Base interactions energy: -1004.121 where: short stacking energy: -447.585 Base-Backbone interact. energy: 2.107 local terms energy: -499.041550 where: bonds (distance) C4'-P energy: -86.122 bonds (distance) P-C4' energy: -97.563 flat angles C4'-P-C4' energy: -103.309 flat angles P-C4'-P energy: -75.009 tors. eta vs tors. theta energy: -137.038 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: 3, replica: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1396.079433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.079433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.079433 (E_RNA) where: Base-Base interactions energy: -918.790 where: short stacking energy: -421.767 Base-Backbone interact. energy: -0.721 local terms energy: -476.567870 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -92.359 flat angles C4'-P-C4' energy: -98.904 flat angles P-C4'-P energy: -68.032 tors. eta vs tors. theta energy: -118.849 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: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1207.573356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.573356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.573356 (E_RNA) where: Base-Base interactions energy: -801.608 where: short stacking energy: -376.672 Base-Backbone interact. energy: -2.184 local terms energy: -403.781206 where: bonds (distance) C4'-P energy: -65.487 bonds (distance) P-C4' energy: -79.563 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -91.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1151.345801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.345801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.345801 (E_RNA) where: Base-Base interactions energy: -741.522 where: short stacking energy: -336.298 Base-Backbone interact. energy: 1.349 local terms energy: -411.172785 where: bonds (distance) C4'-P energy: -98.745 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -56.629 tors. eta vs tors. theta energy: -84.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1075.543292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.543292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.543292 (E_RNA) where: Base-Base interactions energy: -668.262 where: short stacking energy: -305.742 Base-Backbone interact. energy: 0.327 local terms energy: -407.608112 where: bonds (distance) C4'-P energy: -71.745 bonds (distance) P-C4' energy: -92.534 flat angles C4'-P-C4' energy: -104.439 flat angles P-C4'-P energy: -59.984 tors. eta vs tors. theta energy: -78.907 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: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -814.211955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.211955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.211955 (E_RNA) where: Base-Base interactions energy: -479.923 where: short stacking energy: -244.943 Base-Backbone interact. energy: -1.879 local terms energy: -332.409655 where: bonds (distance) C4'-P energy: -83.391 bonds (distance) P-C4' energy: -84.221 flat angles C4'-P-C4' energy: -83.309 flat angles P-C4'-P energy: -47.849 tors. eta vs tors. theta energy: -33.639 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: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -656.789045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.789045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.789045 (E_RNA) where: Base-Base interactions energy: -334.147 where: short stacking energy: -185.655 Base-Backbone interact. energy: -3.098 local terms energy: -319.543953 where: bonds (distance) C4'-P energy: -90.525 bonds (distance) P-C4' energy: -73.906 flat angles C4'-P-C4' energy: -92.479 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -618.205774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.205774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.205774 (E_RNA) where: Base-Base interactions energy: -334.463 where: short stacking energy: -185.156 Base-Backbone interact. energy: 3.008 local terms energy: -286.750881 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -75.977 flat angles C4'-P-C4' energy: -71.576 flat angles P-C4'-P energy: -52.266 tors. eta vs tors. theta energy: -19.084 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: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -382.229351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.229351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.229351 (E_RNA) where: Base-Base interactions energy: -143.188 where: short stacking energy: -121.233 Base-Backbone interact. energy: 2.418 local terms energy: -241.458831 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -85.407 flat angles C4'-P-C4' energy: -56.050 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: 22.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1588.752458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.752458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.752458 (E_RNA) where: Base-Base interactions energy: -1094.419 where: short stacking energy: -470.634 Base-Backbone interact. energy: -0.455 local terms energy: -493.878722 where: bonds (distance) C4'-P energy: -99.876 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -100.473 flat angles P-C4'-P energy: -69.670 tors. eta vs tors. theta energy: -134.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1483.222484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.222484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.222484 (E_RNA) where: Base-Base interactions energy: -977.506 where: short stacking energy: -442.895 Base-Backbone interact. energy: -3.794 local terms energy: -501.922572 where: bonds (distance) C4'-P energy: -100.467 bonds (distance) P-C4' energy: -99.170 flat angles C4'-P-C4' energy: -105.338 flat angles P-C4'-P energy: -66.866 tors. eta vs tors. theta energy: -130.083 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: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1380.025226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.025226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.025226 (E_RNA) where: Base-Base interactions energy: -913.813 where: short stacking energy: -430.684 Base-Backbone interact. energy: 0.156 local terms energy: -466.368180 where: bonds (distance) C4'-P energy: -83.460 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -102.006 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -121.353 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: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1246.077276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.077276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.077276 (E_RNA) where: Base-Base interactions energy: -800.546 where: short stacking energy: -375.333 Base-Backbone interact. energy: -4.942 local terms energy: -440.589080 where: bonds (distance) C4'-P energy: -83.458 bonds (distance) P-C4' energy: -92.530 flat angles C4'-P-C4' energy: -99.129 flat angles P-C4'-P energy: -62.747 tors. eta vs tors. theta energy: -102.724 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: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1187.485156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.485156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.485156 (E_RNA) where: Base-Base interactions energy: -771.307 where: short stacking energy: -374.227 Base-Backbone interact. energy: -0.627 local terms energy: -415.550246 where: bonds (distance) C4'-P energy: -90.888 bonds (distance) P-C4' energy: -81.821 flat angles C4'-P-C4' energy: -102.193 flat angles P-C4'-P energy: -48.220 tors. eta vs tors. theta energy: -92.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1029.414851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.414851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.414851 (E_RNA) where: Base-Base interactions energy: -646.520 where: short stacking energy: -301.349 Base-Backbone interact. energy: 0.153 local terms energy: -383.047068 where: bonds (distance) C4'-P energy: -83.733 bonds (distance) P-C4' energy: -91.051 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -70.780 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: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -771.710539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.710539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.710539 (E_RNA) where: Base-Base interactions energy: -440.107 where: short stacking energy: -216.489 Base-Backbone interact. energy: -0.970 local terms energy: -330.632646 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -88.054 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -34.967 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: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -614.691663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.691663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.691663 (E_RNA) where: Base-Base interactions energy: -317.824 where: short stacking energy: -181.812 Base-Backbone interact. energy: -2.344 local terms energy: -294.524016 where: bonds (distance) C4'-P energy: -91.213 bonds (distance) P-C4' energy: -74.292 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -43.652 tors. eta vs tors. theta energy: -8.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -581.584782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.584782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.584782 (E_RNA) where: Base-Base interactions energy: -309.891 where: short stacking energy: -166.416 Base-Backbone interact. energy: 1.657 local terms energy: -273.350312 where: bonds (distance) C4'-P energy: -73.870 bonds (distance) P-C4' energy: -75.431 flat angles C4'-P-C4' energy: -74.797 flat angles P-C4'-P energy: -34.267 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -382.771100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.771100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.771100 (E_RNA) where: Base-Base interactions energy: -162.855 where: short stacking energy: -126.873 Base-Backbone interact. energy: -0.692 local terms energy: -219.224780 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -61.360 flat angles C4'-P-C4' energy: -79.489 flat angles P-C4'-P energy: -31.175 tors. eta vs tors. theta energy: 16.499 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: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1585.086587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.086587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.086587 (E_RNA) where: Base-Base interactions energy: -1060.277 where: short stacking energy: -466.089 Base-Backbone interact. energy: -4.594 local terms energy: -520.216438 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -97.540 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -77.108 tors. eta vs tors. theta energy: -144.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1514.417936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.417936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.417936 (E_RNA) where: Base-Base interactions energy: -1030.274 where: short stacking energy: -419.242 Base-Backbone interact. energy: -3.320 local terms energy: -480.824109 where: bonds (distance) C4'-P energy: -90.614 bonds (distance) P-C4' energy: -102.004 flat angles C4'-P-C4' energy: -113.851 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -133.139 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: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1400.712154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.712154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.712154 (E_RNA) where: Base-Base interactions energy: -915.879 where: short stacking energy: -421.869 Base-Backbone interact. energy: -0.549 local terms energy: -484.283796 where: bonds (distance) C4'-P energy: -76.179 bonds (distance) P-C4' energy: -90.785 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -73.192 tors. eta vs tors. theta energy: -134.294 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: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1253.678770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.678770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.678770 (E_RNA) where: Base-Base interactions energy: -804.694 where: short stacking energy: -361.130 Base-Backbone interact. energy: 3.588 local terms energy: -452.572847 where: bonds (distance) C4'-P energy: -93.826 bonds (distance) P-C4' energy: -90.194 flat angles C4'-P-C4' energy: -88.274 flat angles P-C4'-P energy: -78.384 tors. eta vs tors. theta energy: -101.895 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: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1183.479705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.479705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.479705 (E_RNA) where: Base-Base interactions energy: -763.235 where: short stacking energy: -367.403 Base-Backbone interact. energy: 0.021 local terms energy: -420.265681 where: bonds (distance) C4'-P energy: -94.674 bonds (distance) P-C4' energy: -84.869 flat angles C4'-P-C4' energy: -89.311 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -92.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1045.022094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.022094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.022094 (E_RNA) where: Base-Base interactions energy: -665.806 where: short stacking energy: -308.326 Base-Backbone interact. energy: 0.670 local terms energy: -379.886140 where: bonds (distance) C4'-P energy: -82.282 bonds (distance) P-C4' energy: -74.155 flat angles C4'-P-C4' energy: -94.694 flat angles P-C4'-P energy: -48.379 tors. eta vs tors. theta energy: -80.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -778.821131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.821131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.821131 (E_RNA) where: Base-Base interactions energy: -451.993 where: short stacking energy: -218.718 Base-Backbone interact. energy: -1.782 local terms energy: -325.045306 where: bonds (distance) C4'-P energy: -91.867 bonds (distance) P-C4' energy: -86.068 flat angles C4'-P-C4' energy: -68.364 flat angles P-C4'-P energy: -51.971 tors. eta vs tors. theta energy: -26.776 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: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -637.411410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.411410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.411410 (E_RNA) where: Base-Base interactions energy: -337.737 where: short stacking energy: -173.904 Base-Backbone interact. energy: 3.657 local terms energy: -303.331133 where: bonds (distance) C4'-P energy: -85.775 bonds (distance) P-C4' energy: -92.383 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -644.949536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.949536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.949536 (E_RNA) where: Base-Base interactions energy: -356.506 where: short stacking energy: -186.468 Base-Backbone interact. energy: -0.104 local terms energy: -288.339833 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -81.539 flat angles C4'-P-C4' energy: -84.039 flat angles P-C4'-P energy: -33.114 tors. eta vs tors. theta energy: -21.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -408.487553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.487553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.487553 (E_RNA) where: Base-Base interactions energy: -157.463 where: short stacking energy: -106.085 Base-Backbone interact. energy: -1.846 local terms energy: -249.178529 where: bonds (distance) C4'-P energy: -85.013 bonds (distance) P-C4' energy: -61.804 flat angles C4'-P-C4' energy: -57.666 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: 4.189 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: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1568.423081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.423081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.423081 (E_RNA) where: Base-Base interactions energy: -1049.918 where: short stacking energy: -461.910 Base-Backbone interact. energy: -3.518 local terms energy: -514.987069 where: bonds (distance) C4'-P energy: -87.971 bonds (distance) P-C4' energy: -106.306 flat angles C4'-P-C4' energy: -103.741 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -135.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1521.693876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.693876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.693876 (E_RNA) where: Base-Base interactions energy: -997.808 where: short stacking energy: -459.489 Base-Backbone interact. energy: -4.167 local terms energy: -519.719084 where: bonds (distance) C4'-P energy: -98.597 bonds (distance) P-C4' energy: -90.745 flat angles C4'-P-C4' energy: -106.167 flat angles P-C4'-P energy: -73.911 tors. eta vs tors. theta energy: -150.300 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: 6 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1454.062727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.062727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.062727 (E_RNA) where: Base-Base interactions energy: -962.469 where: short stacking energy: -441.662 Base-Backbone interact. energy: -0.819 local terms energy: -490.774033 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -103.144 flat angles C4'-P-C4' energy: -104.870 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -122.346 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: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1265.499429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.499429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.499429 (E_RNA) where: Base-Base interactions energy: -849.959 where: short stacking energy: -417.262 Base-Backbone interact. energy: 0.056 local terms energy: -415.596110 where: bonds (distance) C4'-P energy: -79.022 bonds (distance) P-C4' energy: -93.108 flat angles C4'-P-C4' energy: -82.613 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: -107.507 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: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1180.511026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.511026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.511026 (E_RNA) where: Base-Base interactions energy: -750.627 where: short stacking energy: -367.314 Base-Backbone interact. energy: -1.455 local terms energy: -428.429780 where: bonds (distance) C4'-P energy: -84.046 bonds (distance) P-C4' energy: -88.640 flat angles C4'-P-C4' energy: -107.163 flat angles P-C4'-P energy: -42.455 tors. eta vs tors. theta energy: -106.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1047.676138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.676138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.676138 (E_RNA) where: Base-Base interactions energy: -656.006 where: short stacking energy: -308.373 Base-Backbone interact. energy: -2.079 local terms energy: -389.590866 where: bonds (distance) C4'-P energy: -77.387 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -91.827 flat angles P-C4'-P energy: -56.579 tors. eta vs tors. theta energy: -66.214 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: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -796.591429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.591429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.591429 (E_RNA) where: Base-Base interactions energy: -445.626 where: short stacking energy: -245.479 Base-Backbone interact. energy: -3.400 local terms energy: -347.565502 where: bonds (distance) C4'-P energy: -80.265 bonds (distance) P-C4' energy: -90.618 flat angles C4'-P-C4' energy: -88.087 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -35.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -596.717396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.717396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.717396 (E_RNA) where: Base-Base interactions energy: -294.213 where: short stacking energy: -169.404 Base-Backbone interact. energy: 3.845 local terms energy: -306.349266 where: bonds (distance) C4'-P energy: -81.633 bonds (distance) P-C4' energy: -90.517 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -37.182 tors. eta vs tors. theta energy: -20.519 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: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -623.920144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.920144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.920144 (E_RNA) where: Base-Base interactions energy: -359.293 where: short stacking energy: -179.946 Base-Backbone interact. energy: -2.542 local terms energy: -262.084844 where: bonds (distance) C4'-P energy: -75.339 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -74.859 flat angles P-C4'-P energy: -30.903 tors. eta vs tors. theta energy: -5.451 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: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -414.489061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.489061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.489061 (E_RNA) where: Base-Base interactions energy: -138.802 where: short stacking energy: -107.835 Base-Backbone interact. energy: -3.497 local terms energy: -272.189655 where: bonds (distance) C4'-P energy: -76.600 bonds (distance) P-C4' energy: -81.592 flat angles C4'-P-C4' energy: -64.188 flat angles P-C4'-P energy: -43.639 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1567.212485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.212485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.212485 (E_RNA) where: Base-Base interactions energy: -1044.331 where: short stacking energy: -450.759 Base-Backbone interact. energy: -2.545 local terms energy: -520.336330 where: bonds (distance) C4'-P energy: -99.684 bonds (distance) P-C4' energy: -100.404 flat angles C4'-P-C4' energy: -115.437 flat angles P-C4'-P energy: -78.486 tors. eta vs tors. theta energy: -126.325 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: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1498.313284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.313284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.313284 (E_RNA) where: Base-Base interactions energy: -1004.262 where: short stacking energy: -442.336 Base-Backbone interact. energy: -3.567 local terms energy: -490.483931 where: bonds (distance) C4'-P energy: -89.912 bonds (distance) P-C4' energy: -85.839 flat angles C4'-P-C4' energy: -116.800 flat angles P-C4'-P energy: -69.642 tors. eta vs tors. theta energy: -128.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1406.716695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.716695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.716695 (E_RNA) where: Base-Base interactions energy: -912.093 where: short stacking energy: -445.588 Base-Backbone interact. energy: -0.846 local terms energy: -493.777683 where: bonds (distance) C4'-P energy: -94.303 bonds (distance) P-C4' energy: -100.206 flat angles C4'-P-C4' energy: -98.182 flat angles P-C4'-P energy: -64.781 tors. eta vs tors. theta energy: -136.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1235.588471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.588471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.588471 (E_RNA) where: Base-Base interactions energy: -799.246 where: short stacking energy: -367.880 Base-Backbone interact. energy: -2.549 local terms energy: -433.793167 where: bonds (distance) C4'-P energy: -87.302 bonds (distance) P-C4' energy: -82.914 flat angles C4'-P-C4' energy: -90.278 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -102.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1105.182249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.182249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.182249 (E_RNA) where: Base-Base interactions energy: -703.615 where: short stacking energy: -350.069 Base-Backbone interact. energy: 0.098 local terms energy: -401.664788 where: bonds (distance) C4'-P energy: -87.154 bonds (distance) P-C4' energy: -79.345 flat angles C4'-P-C4' energy: -90.649 flat angles P-C4'-P energy: -51.973 tors. eta vs tors. theta energy: -92.544 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: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1065.253166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.253166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.253166 (E_RNA) where: Base-Base interactions energy: -696.912 where: short stacking energy: -315.590 Base-Backbone interact. energy: 1.149 local terms energy: -369.490602 where: bonds (distance) C4'-P energy: -53.029 bonds (distance) P-C4' energy: -74.456 flat angles C4'-P-C4' energy: -98.218 flat angles P-C4'-P energy: -57.717 tors. eta vs tors. theta energy: -86.071 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: 422 Temperature: 1.200000 Total energy: -773.373270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.373270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.373270 (E_RNA) where: Base-Base interactions energy: -441.773 where: short stacking energy: -214.545 Base-Backbone interact. energy: -0.369 local terms energy: -331.231259 where: bonds (distance) C4'-P energy: -79.450 bonds (distance) P-C4' energy: -86.071 flat angles C4'-P-C4' energy: -77.037 flat angles P-C4'-P energy: -63.637 tors. eta vs tors. theta energy: -25.035 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: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -647.799746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.799746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.799746 (E_RNA) where: Base-Base interactions energy: -341.006 where: short stacking energy: -193.670 Base-Backbone interact. energy: -0.439 local terms energy: -306.355188 where: bonds (distance) C4'-P energy: -72.397 bonds (distance) P-C4' energy: -86.601 flat angles C4'-P-C4' energy: -75.171 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -26.142 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: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -614.568325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.568325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.568325 (E_RNA) where: Base-Base interactions energy: -344.136 where: short stacking energy: -180.810 Base-Backbone interact. energy: 0.133 local terms energy: -270.565124 where: bonds (distance) C4'-P energy: -68.687 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -85.921 flat angles P-C4'-P energy: -25.147 tors. eta vs tors. theta energy: -21.814 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: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -361.692858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.692858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.692858 (E_RNA) where: Base-Base interactions energy: -124.984 where: short stacking energy: -75.224 Base-Backbone interact. energy: -2.870 local terms energy: -233.839301 where: bonds (distance) C4'-P energy: -86.273 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -34.983 tors. eta vs tors. theta energy: 26.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1560.132565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.132565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.132565 (E_RNA) where: Base-Base interactions energy: -1063.623 where: short stacking energy: -472.763 Base-Backbone interact. energy: 0.148 local terms energy: -496.657028 where: bonds (distance) C4'-P energy: -94.435 bonds (distance) P-C4' energy: -98.545 flat angles C4'-P-C4' energy: -102.311 flat angles P-C4'-P energy: -70.247 tors. eta vs tors. theta energy: -131.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1493.928126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.928126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.928126 (E_RNA) where: Base-Base interactions energy: -997.466 where: short stacking energy: -467.721 Base-Backbone interact. energy: -3.164 local terms energy: -493.298628 where: bonds (distance) C4'-P energy: -84.757 bonds (distance) P-C4' energy: -88.068 flat angles C4'-P-C4' energy: -110.259 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -137.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1368.712564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.712564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.712564 (E_RNA) where: Base-Base interactions energy: -902.338 where: short stacking energy: -433.006 Base-Backbone interact. energy: -3.130 local terms energy: -463.244625 where: bonds (distance) C4'-P energy: -74.135 bonds (distance) P-C4' energy: -92.057 flat angles C4'-P-C4' energy: -100.943 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: -123.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1236.347352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.347352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.347352 (E_RNA) where: Base-Base interactions energy: -809.896 where: short stacking energy: -363.056 Base-Backbone interact. energy: -1.059 local terms energy: -425.392135 where: bonds (distance) C4'-P energy: -90.364 bonds (distance) P-C4' energy: -87.597 flat angles C4'-P-C4' energy: -95.846 flat angles P-C4'-P energy: -55.139 tors. eta vs tors. theta energy: -96.446 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: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1112.358315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.358315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.358315 (E_RNA) where: Base-Base interactions energy: -713.272 where: short stacking energy: -322.069 Base-Backbone interact. energy: -5.736 local terms energy: -393.350459 where: bonds (distance) C4'-P energy: -84.917 bonds (distance) P-C4' energy: -77.894 flat angles C4'-P-C4' energy: -92.785 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: -83.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1061.131429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.131429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.131429 (E_RNA) where: Base-Base interactions energy: -660.489 where: short stacking energy: -313.550 Base-Backbone interact. energy: -1.008 local terms energy: -399.633682 where: bonds (distance) C4'-P energy: -88.983 bonds (distance) P-C4' energy: -94.165 flat angles C4'-P-C4' energy: -78.274 flat angles P-C4'-P energy: -63.179 tors. eta vs tors. theta energy: -75.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -801.508459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.508459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.508459 (E_RNA) where: Base-Base interactions energy: -458.827 where: short stacking energy: -241.393 Base-Backbone interact. energy: -3.235 local terms energy: -339.446546 where: bonds (distance) C4'-P energy: -79.311 bonds (distance) P-C4' energy: -90.807 flat angles C4'-P-C4' energy: -79.383 flat angles P-C4'-P energy: -52.392 tors. eta vs tors. theta energy: -37.552 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: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -645.292451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.292451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.292451 (E_RNA) where: Base-Base interactions energy: -338.905 where: short stacking energy: -172.042 Base-Backbone interact. energy: 0.190 local terms energy: -306.577592 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -82.756 flat angles C4'-P-C4' energy: -72.621 flat angles P-C4'-P energy: -41.921 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -606.051135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.051135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.051135 (E_RNA) where: Base-Base interactions energy: -336.065 where: short stacking energy: -176.386 Base-Backbone interact. energy: 2.278 local terms energy: -272.264209 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -70.271 flat angles C4'-P-C4' energy: -81.830 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: -10.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -375.012202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.012202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.012202 (E_RNA) where: Base-Base interactions energy: -126.840 where: short stacking energy: -104.019 Base-Backbone interact. energy: 3.058 local terms energy: -251.230809 where: bonds (distance) C4'-P energy: -70.582 bonds (distance) P-C4' energy: -93.157 flat angles C4'-P-C4' energy: -63.203 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: 21.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1557.145585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.145585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.145585 (E_RNA) where: Base-Base interactions energy: -1057.198 where: short stacking energy: -469.299 Base-Backbone interact. energy: -2.692 local terms energy: -497.255225 where: bonds (distance) C4'-P energy: -90.194 bonds (distance) P-C4' energy: -98.799 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -66.228 tors. eta vs tors. theta energy: -137.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1562.740955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.740955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.740955 (E_RNA) where: Base-Base interactions energy: -1049.404 where: short stacking energy: -470.443 Base-Backbone interact. energy: -0.428 local terms energy: -512.909028 where: bonds (distance) C4'-P energy: -93.759 bonds (distance) P-C4' energy: -102.853 flat angles C4'-P-C4' energy: -110.326 flat angles P-C4'-P energy: -72.135 tors. eta vs tors. theta energy: -133.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1340.252169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.252169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.252169 (E_RNA) where: Base-Base interactions energy: -868.109 where: short stacking energy: -420.740 Base-Backbone interact. energy: -1.300 local terms energy: -470.843491 where: bonds (distance) C4'-P energy: -94.745 bonds (distance) P-C4' energy: -93.169 flat angles C4'-P-C4' energy: -95.152 flat angles P-C4'-P energy: -72.459 tors. eta vs tors. theta energy: -115.318 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: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1241.054671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.054671 (E_RNA) where: Base-Base interactions energy: -776.442 where: short stacking energy: -404.896 Base-Backbone interact. energy: -0.897 local terms energy: -463.716102 where: bonds (distance) C4'-P energy: -91.108 bonds (distance) P-C4' energy: -89.960 flat angles C4'-P-C4' energy: -97.540 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -107.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1140.861730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.861730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.861730 (E_RNA) where: Base-Base interactions energy: -750.395 where: short stacking energy: -364.818 Base-Backbone interact. energy: -1.207 local terms energy: -389.260253 where: bonds (distance) C4'-P energy: -80.252 bonds (distance) P-C4' energy: -78.197 flat angles C4'-P-C4' energy: -82.914 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -85.590 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: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1059.835710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.835710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.835710 (E_RNA) where: Base-Base interactions energy: -664.516 where: short stacking energy: -316.210 Base-Backbone interact. energy: -2.069 local terms energy: -393.250604 where: bonds (distance) C4'-P energy: -72.732 bonds (distance) P-C4' energy: -93.258 flat angles C4'-P-C4' energy: -94.824 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -73.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -788.837414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.837414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.837414 (E_RNA) where: Base-Base interactions energy: -469.735 where: short stacking energy: -223.180 Base-Backbone interact. energy: -3.909 local terms energy: -315.193216 where: bonds (distance) C4'-P energy: -81.300 bonds (distance) P-C4' energy: -74.714 flat angles C4'-P-C4' energy: -79.471 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: -30.000 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: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -656.171902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.171902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.171902 (E_RNA) where: Base-Base interactions energy: -356.696 where: short stacking energy: -196.921 Base-Backbone interact. energy: -1.453 local terms energy: -298.023326 where: bonds (distance) C4'-P energy: -68.387 bonds (distance) P-C4' energy: -88.271 flat angles C4'-P-C4' energy: -60.065 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -23.582 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: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -632.196577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.196577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.196577 (E_RNA) where: Base-Base interactions energy: -337.825 where: short stacking energy: -164.683 Base-Backbone interact. energy: -3.246 local terms energy: -291.126036 where: bonds (distance) C4'-P energy: -88.631 bonds (distance) P-C4' energy: -72.445 flat angles C4'-P-C4' energy: -73.634 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -381.833221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.833221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.833221 (E_RNA) where: Base-Base interactions energy: -151.054 where: short stacking energy: -120.552 Base-Backbone interact. energy: 2.375 local terms energy: -233.154248 where: bonds (distance) C4'-P energy: -89.508 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -51.801 flat angles P-C4'-P energy: -31.821 tors. eta vs tors. theta energy: 8.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1545.285290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.285290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.285290 (E_RNA) where: Base-Base interactions energy: -1042.961 where: short stacking energy: -440.516 Base-Backbone interact. energy: -2.419 local terms energy: -499.905206 where: bonds (distance) C4'-P energy: -96.868 bonds (distance) P-C4' energy: -96.241 flat angles C4'-P-C4' energy: -105.021 flat angles P-C4'-P energy: -71.758 tors. eta vs tors. theta energy: -130.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1519.450193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.450193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.450193 (E_RNA) where: Base-Base interactions energy: -1026.534 where: short stacking energy: -449.753 Base-Backbone interact. energy: -1.167 local terms energy: -491.749624 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.399 flat angles C4'-P-C4' energy: -104.250 flat angles P-C4'-P energy: -64.303 tors. eta vs tors. theta energy: -131.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1373.242070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.242070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.242070 (E_RNA) where: Base-Base interactions energy: -923.009 where: short stacking energy: -407.339 Base-Backbone interact. energy: -1.497 local terms energy: -448.735896 where: bonds (distance) C4'-P energy: -81.862 bonds (distance) P-C4' energy: -87.618 flat angles C4'-P-C4' energy: -95.187 flat angles P-C4'-P energy: -62.173 tors. eta vs tors. theta energy: -121.896 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: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1229.226388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.226388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.226388 (E_RNA) where: Base-Base interactions energy: -794.489 where: short stacking energy: -369.577 Base-Backbone interact. energy: -1.523 local terms energy: -433.214977 where: bonds (distance) C4'-P energy: -88.901 bonds (distance) P-C4' energy: -89.005 flat angles C4'-P-C4' energy: -101.475 flat angles P-C4'-P energy: -53.135 tors. eta vs tors. theta energy: -100.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1202.794707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.794707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.794707 (E_RNA) where: Base-Base interactions energy: -775.361 where: short stacking energy: -352.296 Base-Backbone interact. energy: -3.530 local terms energy: -423.904613 where: bonds (distance) C4'-P energy: -98.990 bonds (distance) P-C4' energy: -94.758 flat angles C4'-P-C4' energy: -89.057 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -88.426 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: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1038.757029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.757029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.757029 (E_RNA) where: Base-Base interactions energy: -656.121 where: short stacking energy: -301.748 Base-Backbone interact. energy: 1.760 local terms energy: -384.395904 where: bonds (distance) C4'-P energy: -79.452 bonds (distance) P-C4' energy: -86.498 flat angles C4'-P-C4' energy: -93.252 flat angles P-C4'-P energy: -66.269 tors. eta vs tors. theta energy: -58.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -860.463838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.463838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.463838 (E_RNA) where: Base-Base interactions energy: -489.687 where: short stacking energy: -252.334 Base-Backbone interact. energy: 1.074 local terms energy: -371.850492 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -83.833 flat angles C4'-P-C4' energy: -84.292 flat angles P-C4'-P energy: -62.261 tors. eta vs tors. theta energy: -56.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -668.127341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.127341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.127341 (E_RNA) where: Base-Base interactions energy: -366.635 where: short stacking energy: -187.905 Base-Backbone interact. energy: 2.229 local terms energy: -303.721070 where: bonds (distance) C4'-P energy: -74.130 bonds (distance) P-C4' energy: -80.286 flat angles C4'-P-C4' energy: -81.746 flat angles P-C4'-P energy: -38.433 tors. eta vs tors. theta energy: -29.126 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: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -618.990890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.990890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.990890 (E_RNA) where: Base-Base interactions energy: -315.435 where: short stacking energy: -183.010 Base-Backbone interact. energy: -1.019 local terms energy: -302.537289 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -70.403 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -22.361 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: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -368.811430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.811430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.811430 (E_RNA) where: Base-Base interactions energy: -135.317 where: short stacking energy: -119.422 Base-Backbone interact. energy: -0.178 local terms energy: -233.316269 where: bonds (distance) C4'-P energy: -85.041 bonds (distance) P-C4' energy: -68.447 flat angles C4'-P-C4' energy: -56.539 flat angles P-C4'-P energy: -37.736 tors. eta vs tors. theta energy: 14.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1560.439601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.439601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.439601 (E_RNA) where: Base-Base interactions energy: -1043.011 where: short stacking energy: -468.492 Base-Backbone interact. energy: -1.853 local terms energy: -515.575961 where: bonds (distance) C4'-P energy: -86.938 bonds (distance) P-C4' energy: -105.100 flat angles C4'-P-C4' energy: -102.414 flat angles P-C4'-P energy: -73.858 tors. eta vs tors. theta energy: -147.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1480.007276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.007276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.007276 (E_RNA) where: Base-Base interactions energy: -992.753 where: short stacking energy: -420.569 Base-Backbone interact. energy: -2.774 local terms energy: -484.480026 where: bonds (distance) C4'-P energy: -106.394 bonds (distance) P-C4' energy: -84.460 flat angles C4'-P-C4' energy: -99.757 flat angles P-C4'-P energy: -67.964 tors. eta vs tors. theta energy: -125.905 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: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1351.254560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.254560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.254560 (E_RNA) where: Base-Base interactions energy: -882.185 where: short stacking energy: -406.655 Base-Backbone interact. energy: -2.855 local terms energy: -466.215371 where: bonds (distance) C4'-P energy: -89.595 bonds (distance) P-C4' energy: -95.506 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -108.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1200.263631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.263631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.263631 (E_RNA) where: Base-Base interactions energy: -775.420 where: short stacking energy: -353.608 Base-Backbone interact. energy: -2.425 local terms energy: -422.418905 where: bonds (distance) C4'-P energy: -93.350 bonds (distance) P-C4' energy: -95.723 flat angles C4'-P-C4' energy: -80.967 flat angles P-C4'-P energy: -58.066 tors. eta vs tors. theta energy: -94.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1211.932303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.932303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.932303 (E_RNA) where: Base-Base interactions energy: -790.659 where: short stacking energy: -384.607 Base-Backbone interact. energy: -0.239 local terms energy: -421.034415 where: bonds (distance) C4'-P energy: -79.359 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -99.788 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -109.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1099.601295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.601295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.601295 (E_RNA) where: Base-Base interactions energy: -696.735 where: short stacking energy: -324.879 Base-Backbone interact. energy: -0.932 local terms energy: -401.934292 where: bonds (distance) C4'-P energy: -82.231 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -98.059 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: -87.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -876.611461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.611461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.611461 (E_RNA) where: Base-Base interactions energy: -516.675 where: short stacking energy: -274.226 Base-Backbone interact. energy: -1.887 local terms energy: -358.049735 where: bonds (distance) C4'-P energy: -72.339 bonds (distance) P-C4' energy: -91.366 flat angles C4'-P-C4' energy: -77.182 flat angles P-C4'-P energy: -59.254 tors. eta vs tors. theta energy: -57.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -659.750915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.750915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.750915 (E_RNA) where: Base-Base interactions energy: -347.307 where: short stacking energy: -197.510 Base-Backbone interact. energy: -1.710 local terms energy: -310.734301 where: bonds (distance) C4'-P energy: -66.879 bonds (distance) P-C4' energy: -76.834 flat angles C4'-P-C4' energy: -81.382 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: -26.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -610.863274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.863274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.863274 (E_RNA) where: Base-Base interactions energy: -326.814 where: short stacking energy: -182.949 Base-Backbone interact. energy: 6.593 local terms energy: -290.641996 where: bonds (distance) C4'-P energy: -73.349 bonds (distance) P-C4' energy: -92.397 flat angles C4'-P-C4' energy: -69.589 flat angles P-C4'-P energy: -42.629 tors. eta vs tors. theta energy: -12.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -383.076455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.076455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.076455 (E_RNA) where: Base-Base interactions energy: -131.736 where: short stacking energy: -103.875 Base-Backbone interact. energy: -0.554 local terms energy: -250.786909 where: bonds (distance) C4'-P energy: -77.669 bonds (distance) P-C4' energy: -92.634 flat angles C4'-P-C4' energy: -70.388 flat angles P-C4'-P energy: -33.486 tors. eta vs tors. theta energy: 23.390 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: 427 Temperature: 0.900000 Total energy: -1564.795935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.795935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.795935 (E_RNA) where: Base-Base interactions energy: -1048.763 where: short stacking energy: -469.715 Base-Backbone interact. energy: -3.381 local terms energy: -512.652222 where: bonds (distance) C4'-P energy: -98.021 bonds (distance) P-C4' energy: -101.196 flat angles C4'-P-C4' energy: -105.988 flat angles P-C4'-P energy: -64.892 tors. eta vs tors. theta energy: -142.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1519.449690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.449690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.449690 (E_RNA) where: Base-Base interactions energy: -1011.897 where: short stacking energy: -437.034 Base-Backbone interact. energy: -3.004 local terms energy: -504.549009 where: bonds (distance) C4'-P energy: -95.254 bonds (distance) P-C4' energy: -101.011 flat angles C4'-P-C4' energy: -104.712 flat angles P-C4'-P energy: -65.873 tors. eta vs tors. theta energy: -137.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1363.270663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.270663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.270663 (E_RNA) where: Base-Base interactions energy: -884.348 where: short stacking energy: -407.414 Base-Backbone interact. energy: -5.069 local terms energy: -473.853802 where: bonds (distance) C4'-P energy: -88.561 bonds (distance) P-C4' energy: -103.390 flat angles C4'-P-C4' energy: -102.851 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -121.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1261.820621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.820621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.820621 (E_RNA) where: Base-Base interactions energy: -809.382 where: short stacking energy: -386.311 Base-Backbone interact. energy: -2.124 local terms energy: -450.314715 where: bonds (distance) C4'-P energy: -83.584 bonds (distance) P-C4' energy: -93.170 flat angles C4'-P-C4' energy: -106.648 flat angles P-C4'-P energy: -54.612 tors. eta vs tors. theta energy: -112.300 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: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1144.177524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.177524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.177524 (E_RNA) where: Base-Base interactions energy: -743.108 where: short stacking energy: -350.523 Base-Backbone interact. energy: -1.938 local terms energy: -399.130915 where: bonds (distance) C4'-P energy: -73.300 bonds (distance) P-C4' energy: -91.697 flat angles C4'-P-C4' energy: -89.433 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -91.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1034.539672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.539672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.539672 (E_RNA) where: Base-Base interactions energy: -639.760 where: short stacking energy: -293.831 Base-Backbone interact. energy: -0.984 local terms energy: -393.795626 where: bonds (distance) C4'-P energy: -98.322 bonds (distance) P-C4' energy: -84.711 flat angles C4'-P-C4' energy: -77.682 flat angles P-C4'-P energy: -57.081 tors. eta vs tors. theta energy: -75.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -842.995435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.995435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.995435 (E_RNA) where: Base-Base interactions energy: -494.832 where: short stacking energy: -254.085 Base-Backbone interact. energy: 0.275 local terms energy: -348.438384 where: bonds (distance) C4'-P energy: -83.363 bonds (distance) P-C4' energy: -85.924 flat angles C4'-P-C4' energy: -73.002 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -46.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -657.846539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.846539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.846539 (E_RNA) where: Base-Base interactions energy: -364.830 where: short stacking energy: -193.925 Base-Backbone interact. energy: -2.797 local terms energy: -290.220060 where: bonds (distance) C4'-P energy: -84.423 bonds (distance) P-C4' energy: -77.666 flat angles C4'-P-C4' energy: -74.585 flat angles P-C4'-P energy: -28.218 tors. eta vs tors. theta energy: -25.328 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: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -596.223203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.223203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.223203 (E_RNA) where: Base-Base interactions energy: -309.255 where: short stacking energy: -158.807 Base-Backbone interact. energy: -2.810 local terms energy: -284.158383 where: bonds (distance) C4'-P energy: -83.898 bonds (distance) P-C4' energy: -72.528 flat angles C4'-P-C4' energy: -77.893 flat angles P-C4'-P energy: -39.343 tors. eta vs tors. theta energy: -10.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -383.804563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.804563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.804563 (E_RNA) where: Base-Base interactions energy: -136.222 where: short stacking energy: -119.951 Base-Backbone interact. energy: -0.118 local terms energy: -247.464932 where: bonds (distance) C4'-P energy: -74.707 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -74.979 flat angles P-C4'-P energy: -34.861 tors. eta vs tors. theta energy: 14.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1571.887254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.887254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.887254 (E_RNA) where: Base-Base interactions energy: -1054.669 where: short stacking energy: -453.408 Base-Backbone interact. energy: -5.567 local terms energy: -511.651892 where: bonds (distance) C4'-P energy: -94.158 bonds (distance) P-C4' energy: -90.318 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -75.005 tors. eta vs tors. theta energy: -142.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1506.964641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.964641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.964641 (E_RNA) where: Base-Base interactions energy: -1022.765 where: short stacking energy: -448.669 Base-Backbone interact. energy: -1.036 local terms energy: -483.163562 where: bonds (distance) C4'-P energy: -90.662 bonds (distance) P-C4' energy: -88.004 flat angles C4'-P-C4' energy: -101.732 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -121.734 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: 428 Temperature: 1.000000 Total energy: -1366.530172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.530172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.530172 (E_RNA) where: Base-Base interactions energy: -912.034 where: short stacking energy: -404.359 Base-Backbone interact. energy: -2.625 local terms energy: -451.870845 where: bonds (distance) C4'-P energy: -97.741 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -100.028 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -115.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1284.929431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.929431 (E_RNA) where: Base-Base interactions energy: -831.792 where: short stacking energy: -387.751 Base-Backbone interact. energy: -0.827 local terms energy: -452.309778 where: bonds (distance) C4'-P energy: -77.250 bonds (distance) P-C4' energy: -94.616 flat angles C4'-P-C4' energy: -100.322 flat angles P-C4'-P energy: -60.453 tors. eta vs tors. theta energy: -119.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1151.894570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.894570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.894570 (E_RNA) where: Base-Base interactions energy: -750.334 where: short stacking energy: -338.490 Base-Backbone interact. energy: -1.502 local terms energy: -400.059186 where: bonds (distance) C4'-P energy: -76.012 bonds (distance) P-C4' energy: -83.737 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -55.417 tors. eta vs tors. theta energy: -84.264 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: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1026.661396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.661396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.661396 (E_RNA) where: Base-Base interactions energy: -652.593 where: short stacking energy: -309.076 Base-Backbone interact. energy: -2.098 local terms energy: -371.970455 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -85.115 flat angles C4'-P-C4' energy: -90.253 flat angles P-C4'-P energy: -49.846 tors. eta vs tors. theta energy: -73.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -821.201224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.201224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.201224 (E_RNA) where: Base-Base interactions energy: -478.190 where: short stacking energy: -234.209 Base-Backbone interact. energy: 0.302 local terms energy: -343.312537 where: bonds (distance) C4'-P energy: -82.330 bonds (distance) P-C4' energy: -78.897 flat angles C4'-P-C4' energy: -87.867 flat angles P-C4'-P energy: -56.775 tors. eta vs tors. theta energy: -37.444 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: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -670.286580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.286580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.286580 (E_RNA) where: Base-Base interactions energy: -357.471 where: short stacking energy: -191.769 Base-Backbone interact. energy: 3.043 local terms energy: -315.858762 where: bonds (distance) C4'-P energy: -76.439 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -87.904 flat angles P-C4'-P energy: -39.249 tors. eta vs tors. theta energy: -24.236 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: 428 Temperature: 1.300000 Total energy: -594.351601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.351601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.351601 (E_RNA) where: Base-Base interactions energy: -319.028 where: short stacking energy: -170.019 Base-Backbone interact. energy: 1.551 local terms energy: -276.874610 where: bonds (distance) C4'-P energy: -73.782 bonds (distance) P-C4' energy: -85.962 flat angles C4'-P-C4' energy: -79.350 flat angles P-C4'-P energy: -34.717 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -372.351593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.351593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.351593 (E_RNA) where: Base-Base interactions energy: -125.160 where: short stacking energy: -105.967 Base-Backbone interact. energy: -1.432 local terms energy: -245.759564 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -81.712 flat angles C4'-P-C4' energy: -64.976 flat angles P-C4'-P energy: -36.986 tors. eta vs tors. theta energy: 12.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1565.328038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.328038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.328038 (E_RNA) where: Base-Base interactions energy: -1048.205 where: short stacking energy: -472.841 Base-Backbone interact. energy: -1.156 local terms energy: -515.967404 where: bonds (distance) C4'-P energy: -94.880 bonds (distance) P-C4' energy: -97.061 flat angles C4'-P-C4' energy: -107.267 flat angles P-C4'-P energy: -73.452 tors. eta vs tors. theta energy: -143.308 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: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1526.177285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.177285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.177285 (E_RNA) where: Base-Base interactions energy: -1043.962 where: short stacking energy: -456.926 Base-Backbone interact. energy: -2.564 local terms energy: -479.651005 where: bonds (distance) C4'-P energy: -92.192 bonds (distance) P-C4' energy: -99.191 flat angles C4'-P-C4' energy: -105.625 flat angles P-C4'-P energy: -53.723 tors. eta vs tors. theta energy: -128.920 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: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1419.052748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.052748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.052748 (E_RNA) where: Base-Base interactions energy: -915.631 where: short stacking energy: -441.183 Base-Backbone interact. energy: 0.134 local terms energy: -503.556202 where: bonds (distance) C4'-P energy: -101.188 bonds (distance) P-C4' energy: -87.058 flat angles C4'-P-C4' energy: -110.233 flat angles P-C4'-P energy: -68.521 tors. eta vs tors. theta energy: -136.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1287.449170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.449170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.449170 (E_RNA) where: Base-Base interactions energy: -816.897 where: short stacking energy: -393.070 Base-Backbone interact. energy: -1.340 local terms energy: -469.211979 where: bonds (distance) C4'-P energy: -76.337 bonds (distance) P-C4' energy: -95.348 flat angles C4'-P-C4' energy: -103.870 flat angles P-C4'-P energy: -67.979 tors. eta vs tors. theta energy: -125.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1160.294291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.294291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.294291 (E_RNA) where: Base-Base interactions energy: -740.699 where: short stacking energy: -350.026 Base-Backbone interact. energy: -2.300 local terms energy: -417.294791 where: bonds (distance) C4'-P energy: -84.966 bonds (distance) P-C4' energy: -87.207 flat angles C4'-P-C4' energy: -95.911 flat angles P-C4'-P energy: -58.030 tors. eta vs tors. theta energy: -91.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1059.375445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.375445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.375445 (E_RNA) where: Base-Base interactions energy: -665.266 where: short stacking energy: -302.132 Base-Backbone interact. energy: -0.363 local terms energy: -393.746025 where: bonds (distance) C4'-P energy: -78.969 bonds (distance) P-C4' energy: -94.771 flat angles C4'-P-C4' energy: -81.894 flat angles P-C4'-P energy: -58.365 tors. eta vs tors. theta energy: -79.747 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: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -811.270085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.270085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.270085 (E_RNA) where: Base-Base interactions energy: -477.059 where: short stacking energy: -234.544 Base-Backbone interact. energy: 1.775 local terms energy: -335.986130 where: bonds (distance) C4'-P energy: -76.637 bonds (distance) P-C4' energy: -91.301 flat angles C4'-P-C4' energy: -86.545 flat angles P-C4'-P energy: -40.061 tors. eta vs tors. theta energy: -41.443 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: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -633.996027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.996027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.996027 (E_RNA) where: Base-Base interactions energy: -320.524 where: short stacking energy: -159.331 Base-Backbone interact. energy: -2.870 local terms energy: -310.602016 where: bonds (distance) C4'-P energy: -78.841 bonds (distance) P-C4' energy: -84.541 flat angles C4'-P-C4' energy: -76.048 flat angles P-C4'-P energy: -63.892 tors. eta vs tors. theta energy: -7.280 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: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -628.461273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.461273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.461273 (E_RNA) where: Base-Base interactions energy: -338.931 where: short stacking energy: -220.996 Base-Backbone interact. energy: -2.267 local terms energy: -287.263209 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -69.687 flat angles C4'-P-C4' energy: -77.338 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -30.212 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: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -358.004309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.004309 (E_RNA) where: Base-Base interactions energy: -115.894 where: short stacking energy: -95.678 Base-Backbone interact. energy: 0.858 local terms energy: -242.968718 where: bonds (distance) C4'-P energy: -78.766 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -38.989 tors. eta vs tors. theta energy: 22.347 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: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1590.964625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.964625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.964625 (E_RNA) where: Base-Base interactions energy: -1076.870 where: short stacking energy: -481.133 Base-Backbone interact. energy: -2.642 local terms energy: -511.452472 where: bonds (distance) C4'-P energy: -85.656 bonds (distance) P-C4' energy: -102.769 flat angles C4'-P-C4' energy: -106.721 flat angles P-C4'-P energy: -74.017 tors. eta vs tors. theta energy: -142.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1515.743883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.743883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.743883 (E_RNA) where: Base-Base interactions energy: -1017.062 where: short stacking energy: -432.022 Base-Backbone interact. energy: -1.069 local terms energy: -497.613350 where: bonds (distance) C4'-P energy: -101.019 bonds (distance) P-C4' energy: -96.456 flat angles C4'-P-C4' energy: -111.113 flat angles P-C4'-P energy: -60.561 tors. eta vs tors. theta energy: -128.464 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: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1383.238567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.238567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.238567 (E_RNA) where: Base-Base interactions energy: -904.234 where: short stacking energy: -427.426 Base-Backbone interact. energy: -0.874 local terms energy: -478.130480 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -104.633 flat angles C4'-P-C4' energy: -101.791 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -123.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1287.634935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.634935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.634935 (E_RNA) where: Base-Base interactions energy: -822.511 where: short stacking energy: -376.264 Base-Backbone interact. energy: 0.993 local terms energy: -466.117040 where: bonds (distance) C4'-P energy: -84.331 bonds (distance) P-C4' energy: -93.019 flat angles C4'-P-C4' energy: -102.635 flat angles P-C4'-P energy: -68.517 tors. eta vs tors. theta energy: -117.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1158.007562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.007562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.007562 (E_RNA) where: Base-Base interactions energy: -725.409 where: short stacking energy: -360.827 Base-Backbone interact. energy: 1.452 local terms energy: -434.050866 where: bonds (distance) C4'-P energy: -80.911 bonds (distance) P-C4' energy: -85.116 flat angles C4'-P-C4' energy: -107.119 flat angles P-C4'-P energy: -61.144 tors. eta vs tors. theta energy: -99.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1046.350912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.350912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.350912 (E_RNA) where: Base-Base interactions energy: -655.316 where: short stacking energy: -290.473 Base-Backbone interact. energy: -1.611 local terms energy: -389.423817 where: bonds (distance) C4'-P energy: -89.105 bonds (distance) P-C4' energy: -92.443 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -75.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -782.696639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.696639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.696639 (E_RNA) where: Base-Base interactions energy: -463.652 where: short stacking energy: -222.963 Base-Backbone interact. energy: -2.193 local terms energy: -316.851661 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -70.148 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -54.366 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: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -673.881251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.881251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.881251 (E_RNA) where: Base-Base interactions energy: -370.571 where: short stacking energy: -219.862 Base-Backbone interact. energy: 3.509 local terms energy: -306.819543 where: bonds (distance) C4'-P energy: -82.421 bonds (distance) P-C4' energy: -79.801 flat angles C4'-P-C4' energy: -69.199 flat angles P-C4'-P energy: -42.027 tors. eta vs tors. theta energy: -33.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -613.876852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.876852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.876852 (E_RNA) where: Base-Base interactions energy: -323.628 where: short stacking energy: -165.891 Base-Backbone interact. energy: -0.820 local terms energy: -289.429459 where: bonds (distance) C4'-P energy: -73.474 bonds (distance) P-C4' energy: -84.900 flat angles C4'-P-C4' energy: -77.510 flat angles P-C4'-P energy: -39.351 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -370.023452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.023452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.023452 (E_RNA) where: Base-Base interactions energy: -136.958 where: short stacking energy: -124.578 Base-Backbone interact. energy: -1.623 local terms energy: -231.442912 where: bonds (distance) C4'-P energy: -62.388 bonds (distance) P-C4' energy: -75.219 flat angles C4'-P-C4' energy: -56.269 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: 14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1572.099068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.099068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.099068 (E_RNA) where: Base-Base interactions energy: -1052.031 where: short stacking energy: -487.285 Base-Backbone interact. energy: -2.829 local terms energy: -517.239208 where: bonds (distance) C4'-P energy: -99.255 bonds (distance) P-C4' energy: -103.063 flat angles C4'-P-C4' energy: -103.704 flat angles P-C4'-P energy: -69.050 tors. eta vs tors. theta energy: -142.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1519.747491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.747491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.747491 (E_RNA) where: Base-Base interactions energy: -1028.671 where: short stacking energy: -436.674 Base-Backbone interact. energy: -4.151 local terms energy: -486.925859 where: bonds (distance) C4'-P energy: -87.291 bonds (distance) P-C4' energy: -97.228 flat angles C4'-P-C4' energy: -100.431 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -136.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1361.047860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.047860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.047860 (E_RNA) where: Base-Base interactions energy: -886.748 where: short stacking energy: -414.900 Base-Backbone interact. energy: -0.938 local terms energy: -473.361178 where: bonds (distance) C4'-P energy: -81.945 bonds (distance) P-C4' energy: -100.037 flat angles C4'-P-C4' energy: -103.348 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -132.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1300.842298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.842298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.842298 (E_RNA) where: Base-Base interactions energy: -846.365 where: short stacking energy: -398.048 Base-Backbone interact. energy: -0.985 local terms energy: -453.492424 where: bonds (distance) C4'-P energy: -83.715 bonds (distance) P-C4' energy: -88.507 flat angles C4'-P-C4' energy: -103.125 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -113.920 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: 5 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1141.510458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.510458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.510458 (E_RNA) where: Base-Base interactions energy: -724.338 where: short stacking energy: -332.601 Base-Backbone interact. energy: -0.056 local terms energy: -417.116099 where: bonds (distance) C4'-P energy: -73.876 bonds (distance) P-C4' energy: -77.035 flat angles C4'-P-C4' energy: -94.937 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -100.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1040.086512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.086512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.086512 (E_RNA) where: Base-Base interactions energy: -661.804 where: short stacking energy: -315.931 Base-Backbone interact. energy: 2.626 local terms energy: -380.907838 where: bonds (distance) C4'-P energy: -82.785 bonds (distance) P-C4' energy: -86.211 flat angles C4'-P-C4' energy: -86.801 flat angles P-C4'-P energy: -54.937 tors. eta vs tors. theta energy: -70.174 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: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -829.657548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.657548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.657548 (E_RNA) where: Base-Base interactions energy: -470.347 where: short stacking energy: -240.801 Base-Backbone interact. energy: -1.534 local terms energy: -357.776270 where: bonds (distance) C4'-P energy: -90.669 bonds (distance) P-C4' energy: -67.995 flat angles C4'-P-C4' energy: -91.485 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -51.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -641.612120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.612120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.612120 (E_RNA) where: Base-Base interactions energy: -327.162 where: short stacking energy: -186.535 Base-Backbone interact. energy: 5.073 local terms energy: -319.523041 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -15.112 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: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -551.204109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.204109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.204109 (E_RNA) where: Base-Base interactions energy: -270.236 where: short stacking energy: -154.922 Base-Backbone interact. energy: -2.121 local terms energy: -278.847473 where: bonds (distance) C4'-P energy: -79.084 bonds (distance) P-C4' energy: -75.594 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: -22.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -355.469791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.469791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.469791 (E_RNA) where: Base-Base interactions energy: -97.472 where: short stacking energy: -83.323 Base-Backbone interact. energy: -0.630 local terms energy: -257.367919 where: bonds (distance) C4'-P energy: -80.421 bonds (distance) P-C4' energy: -82.845 flat angles C4'-P-C4' energy: -75.573 flat angles P-C4'-P energy: -25.181 tors. eta vs tors. theta energy: 6.652 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: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1562.578133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.578133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.578133 (E_RNA) where: Base-Base interactions energy: -1067.915 where: short stacking energy: -450.861 Base-Backbone interact. energy: -2.068 local terms energy: -492.596014 where: bonds (distance) C4'-P energy: -94.868 bonds (distance) P-C4' energy: -83.812 flat angles C4'-P-C4' energy: -111.837 flat angles P-C4'-P energy: -67.087 tors. eta vs tors. theta energy: -134.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1558.567575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.567575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.567575 (E_RNA) where: Base-Base interactions energy: -1066.786 where: short stacking energy: -485.816 Base-Backbone interact. energy: -0.101 local terms energy: -491.680836 where: bonds (distance) C4'-P energy: -88.231 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -104.888 flat angles P-C4'-P energy: -66.772 tors. eta vs tors. theta energy: -142.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1357.428558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.428558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.428558 (E_RNA) where: Base-Base interactions energy: -890.536 where: short stacking energy: -419.992 Base-Backbone interact. energy: 1.395 local terms energy: -468.287190 where: bonds (distance) C4'-P energy: -90.110 bonds (distance) P-C4' energy: -86.707 flat angles C4'-P-C4' energy: -102.280 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: -130.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1250.493250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.493250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.493250 (E_RNA) where: Base-Base interactions energy: -820.040 where: short stacking energy: -394.275 Base-Backbone interact. energy: -2.216 local terms energy: -428.237053 where: bonds (distance) C4'-P energy: -77.832 bonds (distance) P-C4' energy: -81.339 flat angles C4'-P-C4' energy: -97.252 flat angles P-C4'-P energy: -54.493 tors. eta vs tors. theta energy: -117.322 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: 5 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1173.631077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.631077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.631077 (E_RNA) where: Base-Base interactions energy: -758.622 where: short stacking energy: -346.366 Base-Backbone interact. energy: -2.615 local terms energy: -412.393963 where: bonds (distance) C4'-P energy: -77.177 bonds (distance) P-C4' energy: -83.188 flat angles C4'-P-C4' energy: -85.075 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -95.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1022.143583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.143583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.143583 (E_RNA) where: Base-Base interactions energy: -666.056 where: short stacking energy: -326.860 Base-Backbone interact. energy: -2.618 local terms energy: -353.468729 where: bonds (distance) C4'-P energy: -61.851 bonds (distance) P-C4' energy: -79.215 flat angles C4'-P-C4' energy: -96.239 flat angles P-C4'-P energy: -47.554 tors. eta vs tors. theta energy: -68.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -819.760373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.760373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.760373 (E_RNA) where: Base-Base interactions energy: -476.820 where: short stacking energy: -222.285 Base-Backbone interact. energy: -4.947 local terms energy: -337.993357 where: bonds (distance) C4'-P energy: -78.542 bonds (distance) P-C4' energy: -81.884 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -43.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -669.085854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.085854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.085854 (E_RNA) where: Base-Base interactions energy: -338.917 where: short stacking energy: -190.477 Base-Backbone interact. energy: 1.153 local terms energy: -331.321571 where: bonds (distance) C4'-P energy: -87.935 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -83.969 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -29.431 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: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -542.880666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.880666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.880666 (E_RNA) where: Base-Base interactions energy: -247.898 where: short stacking energy: -124.183 Base-Backbone interact. energy: 0.128 local terms energy: -295.111032 where: bonds (distance) C4'-P energy: -83.712 bonds (distance) P-C4' energy: -96.766 flat angles C4'-P-C4' energy: -75.443 flat angles P-C4'-P energy: -50.057 tors. eta vs tors. theta energy: 10.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -382.081381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.081381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.081381 (E_RNA) where: Base-Base interactions energy: -143.366 where: short stacking energy: -107.305 Base-Backbone interact. energy: 4.541 local terms energy: -243.256892 where: bonds (distance) C4'-P energy: -80.007 bonds (distance) P-C4' energy: -76.830 flat angles C4'-P-C4' energy: -66.387 flat angles P-C4'-P energy: -37.926 tors. eta vs tors. theta energy: 17.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1600.305855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.305855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.305855 (E_RNA) where: Base-Base interactions energy: -1097.720 where: short stacking energy: -466.308 Base-Backbone interact. energy: -0.328 local terms energy: -502.257375 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -91.035 flat angles C4'-P-C4' energy: -102.708 flat angles P-C4'-P energy: -76.649 tors. eta vs tors. theta energy: -135.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1514.224139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.224139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.224139 (E_RNA) where: Base-Base interactions energy: -1015.323 where: short stacking energy: -458.074 Base-Backbone interact. energy: -3.332 local terms energy: -495.569895 where: bonds (distance) C4'-P energy: -95.457 bonds (distance) P-C4' energy: -104.047 flat angles C4'-P-C4' energy: -91.296 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -133.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1339.237882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.237882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.237882 (E_RNA) where: Base-Base interactions energy: -876.695 where: short stacking energy: -385.223 Base-Backbone interact. energy: -2.244 local terms energy: -460.298519 where: bonds (distance) C4'-P energy: -97.810 bonds (distance) P-C4' energy: -84.902 flat angles C4'-P-C4' energy: -103.530 flat angles P-C4'-P energy: -59.027 tors. eta vs tors. theta energy: -115.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1214.601459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.601459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.601459 (E_RNA) where: Base-Base interactions energy: -791.725 where: short stacking energy: -349.341 Base-Backbone interact. energy: -0.192 local terms energy: -422.683867 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -88.972 flat angles C4'-P-C4' energy: -96.129 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -86.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1235.420695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.420695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.420695 (E_RNA) where: Base-Base interactions energy: -796.223 where: short stacking energy: -352.802 Base-Backbone interact. energy: -2.636 local terms energy: -436.561707 where: bonds (distance) C4'-P energy: -88.541 bonds (distance) P-C4' energy: -94.728 flat angles C4'-P-C4' energy: -96.250 flat angles P-C4'-P energy: -63.149 tors. eta vs tors. theta energy: -93.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -963.738463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.738463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.738463 (E_RNA) where: Base-Base interactions energy: -596.299 where: short stacking energy: -281.179 Base-Backbone interact. energy: -0.107 local terms energy: -367.332819 where: bonds (distance) C4'-P energy: -87.427 bonds (distance) P-C4' energy: -76.209 flat angles C4'-P-C4' energy: -84.195 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: -58.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -855.205548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.205548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.205548 (E_RNA) where: Base-Base interactions energy: -517.591 where: short stacking energy: -253.155 Base-Backbone interact. energy: -1.134 local terms energy: -336.481232 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -89.457 flat angles C4'-P-C4' energy: -77.101 flat angles P-C4'-P energy: -36.783 tors. eta vs tors. theta energy: -45.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -635.836555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.836555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.836555 (E_RNA) where: Base-Base interactions energy: -316.924 where: short stacking energy: -191.480 Base-Backbone interact. energy: -0.789 local terms energy: -318.123329 where: bonds (distance) C4'-P energy: -84.293 bonds (distance) P-C4' energy: -75.353 flat angles C4'-P-C4' energy: -79.348 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: -36.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -601.075068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.075068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.075068 (E_RNA) where: Base-Base interactions energy: -331.229 where: short stacking energy: -167.033 Base-Backbone interact. energy: -2.706 local terms energy: -267.140344 where: bonds (distance) C4'-P energy: -75.686 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -53.236 flat angles P-C4'-P energy: -39.035 tors. eta vs tors. theta energy: -11.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -395.944781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.944781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.944781 (E_RNA) where: Base-Base interactions energy: -163.971 where: short stacking energy: -115.670 Base-Backbone interact. energy: -5.261 local terms energy: -226.712915 where: bonds (distance) C4'-P energy: -69.844 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -69.084 flat angles P-C4'-P energy: -24.779 tors. eta vs tors. theta energy: 25.616 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: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1580.585900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.585900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.585900 (E_RNA) where: Base-Base interactions energy: -1093.203 where: short stacking energy: -464.883 Base-Backbone interact. energy: -1.044 local terms energy: -486.338961 where: bonds (distance) C4'-P energy: -90.413 bonds (distance) P-C4' energy: -102.523 flat angles C4'-P-C4' energy: -97.915 flat angles P-C4'-P energy: -60.580 tors. eta vs tors. theta energy: -134.908 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: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1526.723762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.723762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.723762 (E_RNA) where: Base-Base interactions energy: -1039.024 where: short stacking energy: -464.987 Base-Backbone interact. energy: 0.304 local terms energy: -488.004098 where: bonds (distance) C4'-P energy: -89.826 bonds (distance) P-C4' energy: -93.894 flat angles C4'-P-C4' energy: -100.557 flat angles P-C4'-P energy: -64.232 tors. eta vs tors. theta energy: -139.496 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: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1378.121574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.121574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.121574 (E_RNA) where: Base-Base interactions energy: -906.229 where: short stacking energy: -426.304 Base-Backbone interact. energy: -2.737 local terms energy: -469.155106 where: bonds (distance) C4'-P energy: -88.501 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -99.638 flat angles P-C4'-P energy: -63.317 tors. eta vs tors. theta energy: -128.381 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: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1264.986437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.986437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.986437 (E_RNA) where: Base-Base interactions energy: -807.546 where: short stacking energy: -411.009 Base-Backbone interact. energy: 2.675 local terms energy: -460.115257 where: bonds (distance) C4'-P energy: -89.402 bonds (distance) P-C4' energy: -84.402 flat angles C4'-P-C4' energy: -107.773 flat angles P-C4'-P energy: -60.927 tors. eta vs tors. theta energy: -117.611 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: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1236.640032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.640032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.640032 (E_RNA) where: Base-Base interactions energy: -784.714 where: short stacking energy: -366.258 Base-Backbone interact. energy: 2.234 local terms energy: -454.160065 where: bonds (distance) C4'-P energy: -93.654 bonds (distance) P-C4' energy: -85.416 flat angles C4'-P-C4' energy: -104.480 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -102.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -962.432072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.432072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.432072 (E_RNA) where: Base-Base interactions energy: -616.717 where: short stacking energy: -278.816 Base-Backbone interact. energy: 1.011 local terms energy: -346.726354 where: bonds (distance) C4'-P energy: -65.907 bonds (distance) P-C4' energy: -85.580 flat angles C4'-P-C4' energy: -85.144 flat angles P-C4'-P energy: -45.664 tors. eta vs tors. theta energy: -64.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -848.665543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.665543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.665543 (E_RNA) where: Base-Base interactions energy: -498.626 where: short stacking energy: -251.196 Base-Backbone interact. energy: -3.193 local terms energy: -346.847112 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -99.413 flat angles C4'-P-C4' energy: -80.590 flat angles P-C4'-P energy: -50.680 tors. eta vs tors. theta energy: -39.998 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: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -639.153422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.153422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.153422 (E_RNA) where: Base-Base interactions energy: -330.054 where: short stacking energy: -182.244 Base-Backbone interact. energy: 1.711 local terms energy: -310.810420 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -96.160 flat angles C4'-P-C4' energy: -82.705 flat angles P-C4'-P energy: -30.639 tors. eta vs tors. theta energy: -11.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -607.797226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.797226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.797226 (E_RNA) where: Base-Base interactions energy: -306.645 where: short stacking energy: -162.396 Base-Backbone interact. energy: -0.946 local terms energy: -300.206108 where: bonds (distance) C4'-P energy: -83.532 bonds (distance) P-C4' energy: -84.979 flat angles C4'-P-C4' energy: -76.690 flat angles P-C4'-P energy: -51.360 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -371.601357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.601357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.601357 (E_RNA) where: Base-Base interactions energy: -118.853 where: short stacking energy: -107.057 Base-Backbone interact. energy: -0.274 local terms energy: -252.473770 where: bonds (distance) C4'-P energy: -66.837 bonds (distance) P-C4' energy: -88.093 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: 25.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1596.842580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.842580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.842580 (E_RNA) where: Base-Base interactions energy: -1082.374 where: short stacking energy: -454.311 Base-Backbone interact. energy: -2.486 local terms energy: -511.982789 where: bonds (distance) C4'-P energy: -97.554 bonds (distance) P-C4' energy: -100.726 flat angles C4'-P-C4' energy: -109.533 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -130.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1486.698660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.698660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.698660 (E_RNA) where: Base-Base interactions energy: -998.121 where: short stacking energy: -469.678 Base-Backbone interact. energy: -2.923 local terms energy: -485.653948 where: bonds (distance) C4'-P energy: -84.038 bonds (distance) P-C4' energy: -87.685 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -71.156 tors. eta vs tors. theta energy: -134.727 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: 435 Temperature: 1.000000 Total energy: -1384.209954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.209954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.209954 (E_RNA) where: Base-Base interactions energy: -905.143 where: short stacking energy: -424.540 Base-Backbone interact. energy: 2.468 local terms energy: -481.535247 where: bonds (distance) C4'-P energy: -87.536 bonds (distance) P-C4' energy: -95.448 flat angles C4'-P-C4' energy: -104.621 flat angles P-C4'-P energy: -61.913 tors. eta vs tors. theta energy: -132.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1192.294456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.294456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.294456 (E_RNA) where: Base-Base interactions energy: -745.115 where: short stacking energy: -358.117 Base-Backbone interact. energy: -0.655 local terms energy: -446.524103 where: bonds (distance) C4'-P energy: -82.134 bonds (distance) P-C4' energy: -93.929 flat angles C4'-P-C4' energy: -97.732 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: -104.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1201.531031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.531031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.531031 (E_RNA) where: Base-Base interactions energy: -769.720 where: short stacking energy: -358.053 Base-Backbone interact. energy: -3.852 local terms energy: -427.959375 where: bonds (distance) C4'-P energy: -84.291 bonds (distance) P-C4' energy: -91.009 flat angles C4'-P-C4' energy: -80.786 flat angles P-C4'-P energy: -57.058 tors. eta vs tors. theta energy: -114.815 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: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1012.214009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.214009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.214009 (E_RNA) where: Base-Base interactions energy: -638.133 where: short stacking energy: -290.068 Base-Backbone interact. energy: -1.691 local terms energy: -372.390531 where: bonds (distance) C4'-P energy: -82.327 bonds (distance) P-C4' energy: -93.046 flat angles C4'-P-C4' energy: -88.513 flat angles P-C4'-P energy: -54.782 tors. eta vs tors. theta energy: -53.722 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: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -808.187287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.187287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.187287 (E_RNA) where: Base-Base interactions energy: -497.813 where: short stacking energy: -229.591 Base-Backbone interact. energy: -2.247 local terms energy: -308.127409 where: bonds (distance) C4'-P energy: -75.286 bonds (distance) P-C4' energy: -82.176 flat angles C4'-P-C4' energy: -88.003 flat angles P-C4'-P energy: -39.013 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -641.352426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.352426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.352426 (E_RNA) where: Base-Base interactions energy: -347.794 where: short stacking energy: -178.791 Base-Backbone interact. energy: 4.453 local terms energy: -298.011927 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -86.502 flat angles C4'-P-C4' energy: -82.118 flat angles P-C4'-P energy: -45.622 tors. eta vs tors. theta energy: -11.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -643.433938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.433938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.433938 (E_RNA) where: Base-Base interactions energy: -351.659 where: short stacking energy: -185.350 Base-Backbone interact. energy: 5.624 local terms energy: -297.398682 where: bonds (distance) C4'-P energy: -73.533 bonds (distance) P-C4' energy: -80.359 flat angles C4'-P-C4' energy: -81.699 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -18.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -377.769934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.769934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.769934 (E_RNA) where: Base-Base interactions energy: -127.401 where: short stacking energy: -115.629 Base-Backbone interact. energy: 1.964 local terms energy: -252.333374 where: bonds (distance) C4'-P energy: -76.645 bonds (distance) P-C4' energy: -72.721 flat angles C4'-P-C4' energy: -72.013 flat angles P-C4'-P energy: -38.214 tors. eta vs tors. theta energy: 7.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1562.341772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.341772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.341772 (E_RNA) where: Base-Base interactions energy: -1073.471 where: short stacking energy: -447.398 Base-Backbone interact. energy: 0.737 local terms energy: -489.607444 where: bonds (distance) C4'-P energy: -100.135 bonds (distance) P-C4' energy: -93.218 flat angles C4'-P-C4' energy: -109.521 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: -128.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1507.339842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.339842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.339842 (E_RNA) where: Base-Base interactions energy: -1005.243 where: short stacking energy: -462.100 Base-Backbone interact. energy: -4.358 local terms energy: -497.738875 where: bonds (distance) C4'-P energy: -98.866 bonds (distance) P-C4' energy: -90.325 flat angles C4'-P-C4' energy: -104.098 flat angles P-C4'-P energy: -67.786 tors. eta vs tors. theta energy: -136.665 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: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1391.720871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.720871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.720871 (E_RNA) where: Base-Base interactions energy: -931.608 where: short stacking energy: -414.649 Base-Backbone interact. energy: -0.681 local terms energy: -459.431633 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -90.535 flat angles C4'-P-C4' energy: -96.006 flat angles P-C4'-P energy: -64.046 tors. eta vs tors. theta energy: -131.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1208.154868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.154868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.154868 (E_RNA) where: Base-Base interactions energy: -761.076 where: short stacking energy: -369.799 Base-Backbone interact. energy: -2.447 local terms energy: -444.631178 where: bonds (distance) C4'-P energy: -87.056 bonds (distance) P-C4' energy: -94.857 flat angles C4'-P-C4' energy: -101.793 flat angles P-C4'-P energy: -62.607 tors. eta vs tors. theta energy: -98.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1187.565364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.565364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.565364 (E_RNA) where: Base-Base interactions energy: -774.148 where: short stacking energy: -359.033 Base-Backbone interact. energy: -2.057 local terms energy: -411.360886 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -86.040 flat angles C4'-P-C4' energy: -94.340 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -98.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1091.033023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.033023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.033023 (E_RNA) where: Base-Base interactions energy: -695.460 where: short stacking energy: -342.001 Base-Backbone interact. energy: -4.123 local terms energy: -391.450143 where: bonds (distance) C4'-P energy: -79.322 bonds (distance) P-C4' energy: -81.130 flat angles C4'-P-C4' energy: -85.858 flat angles P-C4'-P energy: -58.860 tors. eta vs tors. theta energy: -86.280 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: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -866.240958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.240958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.240958 (E_RNA) where: Base-Base interactions energy: -525.666 where: short stacking energy: -255.177 Base-Backbone interact. energy: -2.373 local terms energy: -338.202316 where: bonds (distance) C4'-P energy: -90.067 bonds (distance) P-C4' energy: -84.746 flat angles C4'-P-C4' energy: -89.771 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -28.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -682.145315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.145315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.145315 (E_RNA) where: Base-Base interactions energy: -381.228 where: short stacking energy: -192.089 Base-Backbone interact. energy: -0.672 local terms energy: -300.245774 where: bonds (distance) C4'-P energy: -77.647 bonds (distance) P-C4' energy: -82.691 flat angles C4'-P-C4' energy: -74.801 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -14.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -627.301631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.301631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.301631 (E_RNA) where: Base-Base interactions energy: -324.942 where: short stacking energy: -178.814 Base-Backbone interact. energy: 0.092 local terms energy: -302.451821 where: bonds (distance) C4'-P energy: -69.262 bonds (distance) P-C4' energy: -80.604 flat angles C4'-P-C4' energy: -83.911 flat angles P-C4'-P energy: -51.941 tors. eta vs tors. theta energy: -16.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -374.322096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.322096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.322096 (E_RNA) where: Base-Base interactions energy: -170.272 where: short stacking energy: -149.778 Base-Backbone interact. energy: -0.948 local terms energy: -203.102695 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -69.584 flat angles C4'-P-C4' energy: -58.180 flat angles P-C4'-P energy: -13.558 tors. eta vs tors. theta energy: 8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1568.708359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.708359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.708359 (E_RNA) where: Base-Base interactions energy: -1072.188 where: short stacking energy: -454.146 Base-Backbone interact. energy: 0.114 local terms energy: -496.633723 where: bonds (distance) C4'-P energy: -102.119 bonds (distance) P-C4' energy: -84.367 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -75.483 tors. eta vs tors. theta energy: -128.643 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: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1508.722757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.722757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.722757 (E_RNA) where: Base-Base interactions energy: -1021.647 where: short stacking energy: -454.749 Base-Backbone interact. energy: 0.059 local terms energy: -487.135032 where: bonds (distance) C4'-P energy: -76.058 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -109.575 flat angles P-C4'-P energy: -70.395 tors. eta vs tors. theta energy: -141.282 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: 437 Temperature: 1.000000 Total energy: -1402.185256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.185256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.185256 (E_RNA) where: Base-Base interactions energy: -938.981 where: short stacking energy: -435.074 Base-Backbone interact. energy: -2.332 local terms energy: -460.871490 where: bonds (distance) C4'-P energy: -68.892 bonds (distance) P-C4' energy: -88.692 flat angles C4'-P-C4' energy: -102.366 flat angles P-C4'-P energy: -67.760 tors. eta vs tors. theta energy: -133.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1273.765944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.765944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.765944 (E_RNA) where: Base-Base interactions energy: -829.206 where: short stacking energy: -386.897 Base-Backbone interact. energy: -2.281 local terms energy: -442.279546 where: bonds (distance) C4'-P energy: -90.611 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -93.041 flat angles P-C4'-P energy: -58.227 tors. eta vs tors. theta energy: -113.446 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: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1161.271833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.271833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.271833 (E_RNA) where: Base-Base interactions energy: -741.157 where: short stacking energy: -345.015 Base-Backbone interact. energy: -2.105 local terms energy: -418.010378 where: bonds (distance) C4'-P energy: -90.828 bonds (distance) P-C4' energy: -74.233 flat angles C4'-P-C4' energy: -97.989 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -85.925 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: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1015.996524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.996524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.996524 (E_RNA) where: Base-Base interactions energy: -651.029 where: short stacking energy: -315.179 Base-Backbone interact. energy: -0.506 local terms energy: -364.461762 where: bonds (distance) C4'-P energy: -74.528 bonds (distance) P-C4' energy: -77.881 flat angles C4'-P-C4' energy: -84.735 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -69.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -799.065415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.065415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.065415 (E_RNA) where: Base-Base interactions energy: -443.788 where: short stacking energy: -209.737 Base-Backbone interact. energy: -3.503 local terms energy: -351.775057 where: bonds (distance) C4'-P energy: -78.318 bonds (distance) P-C4' energy: -102.956 flat angles C4'-P-C4' energy: -92.797 flat angles P-C4'-P energy: -63.033 tors. eta vs tors. theta energy: -14.671 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: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -710.709162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.709162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.709162 (E_RNA) where: Base-Base interactions energy: -410.200 where: short stacking energy: -213.538 Base-Backbone interact. energy: -1.073 local terms energy: -299.436731 where: bonds (distance) C4'-P energy: -82.185 bonds (distance) P-C4' energy: -70.264 flat angles C4'-P-C4' energy: -83.231 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: -27.730 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: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -579.874263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.874263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.874263 (E_RNA) where: Base-Base interactions energy: -283.816 where: short stacking energy: -155.175 Base-Backbone interact. energy: -1.863 local terms energy: -294.195721 where: bonds (distance) C4'-P energy: -76.668 bonds (distance) P-C4' energy: -78.567 flat angles C4'-P-C4' energy: -89.537 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: -14.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -374.477557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.477557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.477557 (E_RNA) where: Base-Base interactions energy: -122.595 where: short stacking energy: -103.454 Base-Backbone interact. energy: 4.403 local terms energy: -256.285382 where: bonds (distance) C4'-P energy: -85.884 bonds (distance) P-C4' energy: -84.580 flat angles C4'-P-C4' energy: -49.489 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: 13.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1581.447073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.447073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.447073 (E_RNA) where: Base-Base interactions energy: -1062.656 where: short stacking energy: -469.840 Base-Backbone interact. energy: -0.071 local terms energy: -518.719239 where: bonds (distance) C4'-P energy: -103.571 bonds (distance) P-C4' energy: -96.439 flat angles C4'-P-C4' energy: -108.598 flat angles P-C4'-P energy: -76.360 tors. eta vs tors. theta energy: -133.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1526.553519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.553519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.553519 (E_RNA) where: Base-Base interactions energy: -1036.983 where: short stacking energy: -442.138 Base-Backbone interact. energy: -4.320 local terms energy: -485.249798 where: bonds (distance) C4'-P energy: -96.919 bonds (distance) P-C4' energy: -95.633 flat angles C4'-P-C4' energy: -98.630 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -138.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1388.578034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.578034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.578034 (E_RNA) where: Base-Base interactions energy: -914.882 where: short stacking energy: -422.535 Base-Backbone interact. energy: -0.564 local terms energy: -473.132121 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -96.282 flat angles C4'-P-C4' energy: -99.850 flat angles P-C4'-P energy: -63.288 tors. eta vs tors. theta energy: -125.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1289.862099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.862099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.862099 (E_RNA) where: Base-Base interactions energy: -851.838 where: short stacking energy: -416.920 Base-Backbone interact. energy: 3.409 local terms energy: -441.432859 where: bonds (distance) C4'-P energy: -90.530 bonds (distance) P-C4' energy: -88.484 flat angles C4'-P-C4' energy: -103.585 flat angles P-C4'-P energy: -44.333 tors. eta vs tors. theta energy: -114.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1175.194908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.194908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.194908 (E_RNA) where: Base-Base interactions energy: -753.549 where: short stacking energy: -372.809 Base-Backbone interact. energy: -2.216 local terms energy: -419.429386 where: bonds (distance) C4'-P energy: -80.813 bonds (distance) P-C4' energy: -84.165 flat angles C4'-P-C4' energy: -79.166 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -108.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1013.387621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.387621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.387621 (E_RNA) where: Base-Base interactions energy: -635.305 where: short stacking energy: -294.091 Base-Backbone interact. energy: 0.007 local terms energy: -378.089801 where: bonds (distance) C4'-P energy: -85.966 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -93.490 flat angles P-C4'-P energy: -53.459 tors. eta vs tors. theta energy: -63.889 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: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -839.306107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.306107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.306107 (E_RNA) where: Base-Base interactions energy: -509.853 where: short stacking energy: -254.859 Base-Backbone interact. energy: 1.470 local terms energy: -330.923152 where: bonds (distance) C4'-P energy: -85.603 bonds (distance) P-C4' energy: -74.448 flat angles C4'-P-C4' energy: -76.205 flat angles P-C4'-P energy: -45.749 tors. eta vs tors. theta energy: -48.919 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: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -731.995748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.995748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.995748 (E_RNA) where: Base-Base interactions energy: -424.678 where: short stacking energy: -192.040 Base-Backbone interact. energy: -1.889 local terms energy: -305.429227 where: bonds (distance) C4'-P energy: -69.364 bonds (distance) P-C4' energy: -84.026 flat angles C4'-P-C4' energy: -54.646 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -30.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -585.012719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.012719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.012719 (E_RNA) where: Base-Base interactions energy: -293.637 where: short stacking energy: -177.040 Base-Backbone interact. energy: -3.682 local terms energy: -287.694650 where: bonds (distance) C4'-P energy: -78.988 bonds (distance) P-C4' energy: -86.075 flat angles C4'-P-C4' energy: -73.977 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -7.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -351.492575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.492575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.492575 (E_RNA) where: Base-Base interactions energy: -123.135 where: short stacking energy: -100.280 Base-Backbone interact. energy: 0.019 local terms energy: -228.376008 where: bonds (distance) C4'-P energy: -81.883 bonds (distance) P-C4' energy: -70.527 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -19.903 tors. eta vs tors. theta energy: 15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1569.116916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.116916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.116916 (E_RNA) where: Base-Base interactions energy: -1060.743 where: short stacking energy: -456.741 Base-Backbone interact. energy: 0.315 local terms energy: -508.689175 where: bonds (distance) C4'-P energy: -99.076 bonds (distance) P-C4' energy: -102.518 flat angles C4'-P-C4' energy: -102.898 flat angles P-C4'-P energy: -72.153 tors. eta vs tors. theta energy: -132.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1554.162518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.162518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.162518 (E_RNA) where: Base-Base interactions energy: -1036.191 where: short stacking energy: -475.218 Base-Backbone interact. energy: -2.565 local terms energy: -515.407049 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -81.613 flat angles C4'-P-C4' energy: -108.232 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -145.584 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: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1355.457082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.457082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.457082 (E_RNA) where: Base-Base interactions energy: -884.608 where: short stacking energy: -412.273 Base-Backbone interact. energy: -1.699 local terms energy: -469.149497 where: bonds (distance) C4'-P energy: -88.340 bonds (distance) P-C4' energy: -96.824 flat angles C4'-P-C4' energy: -97.464 flat angles P-C4'-P energy: -76.759 tors. eta vs tors. theta energy: -109.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1223.926708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.926708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.926708 (E_RNA) where: Base-Base interactions energy: -761.689 where: short stacking energy: -374.229 Base-Backbone interact. energy: -1.382 local terms energy: -460.855676 where: bonds (distance) C4'-P energy: -88.882 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -97.539 flat angles P-C4'-P energy: -73.065 tors. eta vs tors. theta energy: -104.856 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: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1251.918934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.918934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.918934 (E_RNA) where: Base-Base interactions energy: -818.096 where: short stacking energy: -386.877 Base-Backbone interact. energy: -2.156 local terms energy: -431.667336 where: bonds (distance) C4'-P energy: -76.413 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -85.865 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -114.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1026.919088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.919088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.919088 (E_RNA) where: Base-Base interactions energy: -664.165 where: short stacking energy: -309.862 Base-Backbone interact. energy: 3.137 local terms energy: -365.890262 where: bonds (distance) C4'-P energy: -81.641 bonds (distance) P-C4' energy: -67.131 flat angles C4'-P-C4' energy: -94.412 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -72.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -877.704668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.704668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.704668 (E_RNA) where: Base-Base interactions energy: -506.293 where: short stacking energy: -236.195 Base-Backbone interact. energy: 0.121 local terms energy: -371.532612 where: bonds (distance) C4'-P energy: -83.799 bonds (distance) P-C4' energy: -91.097 flat angles C4'-P-C4' energy: -83.644 flat angles P-C4'-P energy: -58.825 tors. eta vs tors. theta energy: -54.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -770.390213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.390213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.390213 (E_RNA) where: Base-Base interactions energy: -441.649 where: short stacking energy: -227.138 Base-Backbone interact. energy: 1.513 local terms energy: -330.254639 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -93.171 flat angles C4'-P-C4' energy: -78.620 flat angles P-C4'-P energy: -56.584 tors. eta vs tors. theta energy: -30.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -552.252520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.252520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.252520 (E_RNA) where: Base-Base interactions energy: -261.390 where: short stacking energy: -154.511 Base-Backbone interact. energy: 6.117 local terms energy: -296.979205 where: bonds (distance) C4'-P energy: -85.322 bonds (distance) P-C4' energy: -85.333 flat angles C4'-P-C4' energy: -87.876 flat angles P-C4'-P energy: -35.529 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -416.173189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.173189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.173189 (E_RNA) where: Base-Base interactions energy: -174.074 where: short stacking energy: -121.583 Base-Backbone interact. energy: 0.953 local terms energy: -243.051562 where: bonds (distance) C4'-P energy: -84.545 bonds (distance) P-C4' energy: -89.059 flat angles C4'-P-C4' energy: -62.550 flat angles P-C4'-P energy: -22.400 tors. eta vs tors. theta energy: 15.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1533.425914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.425914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.425914 (E_RNA) where: Base-Base interactions energy: -1029.514 where: short stacking energy: -478.137 Base-Backbone interact. energy: -4.030 local terms energy: -499.881845 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -100.512 flat angles P-C4'-P energy: -74.250 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: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1527.153484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.153484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.153484 (E_RNA) where: Base-Base interactions energy: -1032.707 where: short stacking energy: -436.788 Base-Backbone interact. energy: -0.419 local terms energy: -494.027284 where: bonds (distance) C4'-P energy: -95.265 bonds (distance) P-C4' energy: -101.378 flat angles C4'-P-C4' energy: -99.993 flat angles P-C4'-P energy: -67.367 tors. eta vs tors. theta energy: -130.024 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: 440 Temperature: 1.000000 Total energy: -1374.833251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.833251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.833251 (E_RNA) where: Base-Base interactions energy: -916.147 where: short stacking energy: -438.966 Base-Backbone interact. energy: 0.498 local terms energy: -459.184459 where: bonds (distance) C4'-P energy: -80.958 bonds (distance) P-C4' energy: -87.893 flat angles C4'-P-C4' energy: -108.664 flat angles P-C4'-P energy: -61.356 tors. eta vs tors. theta energy: -120.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1224.045424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.045424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.045424 (E_RNA) where: Base-Base interactions energy: -768.029 where: short stacking energy: -367.877 Base-Backbone interact. energy: -1.580 local terms energy: -454.437280 where: bonds (distance) C4'-P energy: -89.195 bonds (distance) P-C4' energy: -90.265 flat angles C4'-P-C4' energy: -98.438 flat angles P-C4'-P energy: -71.678 tors. eta vs tors. theta energy: -104.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1256.621247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.621247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.621247 (E_RNA) where: Base-Base interactions energy: -826.657 where: short stacking energy: -382.174 Base-Backbone interact. energy: -2.284 local terms energy: -427.680835 where: bonds (distance) C4'-P energy: -82.610 bonds (distance) P-C4' energy: -90.823 flat angles C4'-P-C4' energy: -92.294 flat angles P-C4'-P energy: -60.489 tors. eta vs tors. theta energy: -101.466 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: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1051.699957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.699957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.699957 (E_RNA) where: Base-Base interactions energy: -656.568 where: short stacking energy: -333.274 Base-Backbone interact. energy: 0.285 local terms energy: -395.417221 where: bonds (distance) C4'-P energy: -80.393 bonds (distance) P-C4' energy: -89.942 flat angles C4'-P-C4' energy: -89.428 flat angles P-C4'-P energy: -51.375 tors. eta vs tors. theta energy: -84.280 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: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -781.155243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.155243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.155243 (E_RNA) where: Base-Base interactions energy: -443.258 where: short stacking energy: -214.976 Base-Backbone interact. energy: -1.929 local terms energy: -335.967694 where: bonds (distance) C4'-P energy: -87.197 bonds (distance) P-C4' energy: -86.216 flat angles C4'-P-C4' energy: -80.165 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -24.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -813.676514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.676514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.676514 (E_RNA) where: Base-Base interactions energy: -511.387 where: short stacking energy: -237.729 Base-Backbone interact. energy: 0.456 local terms energy: -302.746368 where: bonds (distance) C4'-P energy: -78.829 bonds (distance) P-C4' energy: -62.256 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -39.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -584.890188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.890188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.890188 (E_RNA) where: Base-Base interactions energy: -294.973 where: short stacking energy: -167.571 Base-Backbone interact. energy: -2.385 local terms energy: -287.531486 where: bonds (distance) C4'-P energy: -67.233 bonds (distance) P-C4' energy: -94.151 flat angles C4'-P-C4' energy: -71.914 flat angles P-C4'-P energy: -49.306 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: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -400.021089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.021089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.021089 (E_RNA) where: Base-Base interactions energy: -158.250 where: short stacking energy: -110.903 Base-Backbone interact. energy: -1.961 local terms energy: -239.810404 where: bonds (distance) C4'-P energy: -84.820 bonds (distance) P-C4' energy: -87.004 flat angles C4'-P-C4' energy: -59.224 flat angles P-C4'-P energy: -23.789 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: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1581.132839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.132839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.132839 (E_RNA) where: Base-Base interactions energy: -1063.834 where: short stacking energy: -492.370 Base-Backbone interact. energy: -0.765 local terms energy: -516.533297 where: bonds (distance) C4'-P energy: -90.920 bonds (distance) P-C4' energy: -106.014 flat angles C4'-P-C4' energy: -105.088 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -142.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1519.422146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.422146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.422146 (E_RNA) where: Base-Base interactions energy: -1041.854 where: short stacking energy: -437.420 Base-Backbone interact. energy: -3.365 local terms energy: -474.203890 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -84.988 flat angles C4'-P-C4' energy: -108.143 flat angles P-C4'-P energy: -50.561 tors. eta vs tors. theta energy: -130.357 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: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1400.103161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.103161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.103161 (E_RNA) where: Base-Base interactions energy: -920.939 where: short stacking energy: -421.753 Base-Backbone interact. energy: -1.220 local terms energy: -477.944349 where: bonds (distance) C4'-P energy: -85.962 bonds (distance) P-C4' energy: -80.632 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -75.090 tors. eta vs tors. theta energy: -135.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1295.030827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.030827 (E_RNA) where: Base-Base interactions energy: -845.164 where: short stacking energy: -385.211 Base-Backbone interact. energy: 0.260 local terms energy: -450.126952 where: bonds (distance) C4'-P energy: -88.942 bonds (distance) P-C4' energy: -92.352 flat angles C4'-P-C4' energy: -93.701 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: -119.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1168.602266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.602266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.602266 (E_RNA) where: Base-Base interactions energy: -731.339 where: short stacking energy: -368.561 Base-Backbone interact. energy: -1.014 local terms energy: -436.249007 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -85.241 flat angles C4'-P-C4' energy: -89.403 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -106.640 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: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1068.518649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.518649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.518649 (E_RNA) where: Base-Base interactions energy: -681.156 where: short stacking energy: -315.535 Base-Backbone interact. energy: 0.433 local terms energy: -387.796050 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -84.057 flat angles C4'-P-C4' energy: -88.589 flat angles P-C4'-P energy: -54.123 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: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -726.630775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.630775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.630775 (E_RNA) where: Base-Base interactions energy: -388.640 where: short stacking energy: -196.364 Base-Backbone interact. energy: -0.793 local terms energy: -337.197707 where: bonds (distance) C4'-P energy: -79.384 bonds (distance) P-C4' energy: -82.711 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -24.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -844.124095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.124095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.124095 (E_RNA) where: Base-Base interactions energy: -521.265 where: short stacking energy: -259.207 Base-Backbone interact. energy: -1.463 local terms energy: -321.396488 where: bonds (distance) C4'-P energy: -72.042 bonds (distance) P-C4' energy: -85.431 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -48.071 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: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -601.974310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.974310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.974310 (E_RNA) where: Base-Base interactions energy: -347.358 where: short stacking energy: -183.364 Base-Backbone interact. energy: 2.484 local terms energy: -257.099940 where: bonds (distance) C4'-P energy: -84.821 bonds (distance) P-C4' energy: -73.456 flat angles C4'-P-C4' energy: -50.995 flat angles P-C4'-P energy: -35.898 tors. eta vs tors. theta energy: -11.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -373.984346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.984346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.984346 (E_RNA) where: Base-Base interactions energy: -93.757 where: short stacking energy: -90.889 Base-Backbone interact. energy: 3.424 local terms energy: -283.651129 where: bonds (distance) C4'-P energy: -84.006 bonds (distance) P-C4' energy: -80.562 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -46.838 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: 442 Temperature: 0.900000 Total energy: -1557.769159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.769159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.769159 (E_RNA) where: Base-Base interactions energy: -1057.115 where: short stacking energy: -488.531 Base-Backbone interact. energy: -0.963 local terms energy: -499.691728 where: bonds (distance) C4'-P energy: -82.638 bonds (distance) P-C4' energy: -96.021 flat angles C4'-P-C4' energy: -100.679 flat angles P-C4'-P energy: -75.063 tors. eta vs tors. theta energy: -145.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1514.449341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.449341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.449341 (E_RNA) where: Base-Base interactions energy: -1028.986 where: short stacking energy: -448.610 Base-Backbone interact. energy: -2.228 local terms energy: -483.234589 where: bonds (distance) C4'-P energy: -87.506 bonds (distance) P-C4' energy: -95.189 flat angles C4'-P-C4' energy: -106.385 flat angles P-C4'-P energy: -62.830 tors. eta vs tors. theta energy: -131.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1414.905138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.905138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.905138 (E_RNA) where: Base-Base interactions energy: -946.112 where: short stacking energy: -427.050 Base-Backbone interact. energy: 2.080 local terms energy: -470.872591 where: bonds (distance) C4'-P energy: -76.962 bonds (distance) P-C4' energy: -92.334 flat angles C4'-P-C4' energy: -100.036 flat angles P-C4'-P energy: -69.098 tors. eta vs tors. theta energy: -132.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1310.683303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.683303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.683303 (E_RNA) where: Base-Base interactions energy: -851.190 where: short stacking energy: -392.582 Base-Backbone interact. energy: -2.813 local terms energy: -456.680878 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -88.826 flat angles C4'-P-C4' energy: -95.043 flat angles P-C4'-P energy: -64.628 tors. eta vs tors. theta energy: -123.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1168.054824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.054824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.054824 (E_RNA) where: Base-Base interactions energy: -761.910 where: short stacking energy: -361.544 Base-Backbone interact. energy: -1.271 local terms energy: -404.874302 where: bonds (distance) C4'-P energy: -77.987 bonds (distance) P-C4' energy: -82.859 flat angles C4'-P-C4' energy: -99.168 flat angles P-C4'-P energy: -51.328 tors. eta vs tors. theta energy: -93.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1090.280454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.280454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.280454 (E_RNA) where: Base-Base interactions energy: -674.195 where: short stacking energy: -344.758 Base-Backbone interact. energy: -1.501 local terms energy: -414.583814 where: bonds (distance) C4'-P energy: -82.090 bonds (distance) P-C4' energy: -99.220 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -90.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -825.485897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.485897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.485897 (E_RNA) where: Base-Base interactions energy: -497.317 where: short stacking energy: -233.611 Base-Backbone interact. energy: 0.023 local terms energy: -328.192145 where: bonds (distance) C4'-P energy: -81.313 bonds (distance) P-C4' energy: -73.476 flat angles C4'-P-C4' energy: -81.527 flat angles P-C4'-P energy: -59.587 tors. eta vs tors. theta energy: -32.290 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: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -670.838669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.838669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.838669 (E_RNA) where: Base-Base interactions energy: -371.600 where: short stacking energy: -178.155 Base-Backbone interact. energy: -2.787 local terms energy: -296.451961 where: bonds (distance) C4'-P energy: -68.714 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -84.097 flat angles P-C4'-P energy: -42.626 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -549.133770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.133770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.133770 (E_RNA) where: Base-Base interactions energy: -283.758 where: short stacking energy: -158.209 Base-Backbone interact. energy: -1.196 local terms energy: -264.179771 where: bonds (distance) C4'-P energy: -72.613 bonds (distance) P-C4' energy: -78.687 flat angles C4'-P-C4' energy: -72.460 flat angles P-C4'-P energy: -33.418 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -367.435756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.435756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.435756 (E_RNA) where: Base-Base interactions energy: -140.376 where: short stacking energy: -125.089 Base-Backbone interact. energy: -1.609 local terms energy: -225.450576 where: bonds (distance) C4'-P energy: -73.560 bonds (distance) P-C4' energy: -52.848 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: 9.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1559.833875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.833875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.833875 (E_RNA) where: Base-Base interactions energy: -1042.838 where: short stacking energy: -482.612 Base-Backbone interact. energy: -2.425 local terms energy: -514.571335 where: bonds (distance) C4'-P energy: -85.174 bonds (distance) P-C4' energy: -86.193 flat angles C4'-P-C4' energy: -114.675 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -153.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1510.057886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.057886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.057886 (E_RNA) where: Base-Base interactions energy: -1019.553 where: short stacking energy: -437.832 Base-Backbone interact. energy: -4.426 local terms energy: -486.079257 where: bonds (distance) C4'-P energy: -92.921 bonds (distance) P-C4' energy: -87.925 flat angles C4'-P-C4' energy: -107.655 flat angles P-C4'-P energy: -79.441 tors. eta vs tors. theta energy: -118.137 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: 443 Temperature: 1.000000 Total energy: -1430.411520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.411520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.411520 (E_RNA) where: Base-Base interactions energy: -932.391 where: short stacking energy: -447.025 Base-Backbone interact. energy: 1.220 local terms energy: -499.240363 where: bonds (distance) C4'-P energy: -98.223 bonds (distance) P-C4' energy: -87.343 flat angles C4'-P-C4' energy: -106.952 flat angles P-C4'-P energy: -64.686 tors. eta vs tors. theta energy: -142.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1287.141458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.141458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.141458 (E_RNA) where: Base-Base interactions energy: -828.302 where: short stacking energy: -386.390 Base-Backbone interact. energy: -1.006 local terms energy: -457.833426 where: bonds (distance) C4'-P energy: -84.865 bonds (distance) P-C4' energy: -86.718 flat angles C4'-P-C4' energy: -108.113 flat angles P-C4'-P energy: -59.785 tors. eta vs tors. theta energy: -118.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1133.292773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.292773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.292773 (E_RNA) where: Base-Base interactions energy: -717.947 where: short stacking energy: -320.487 Base-Backbone interact. energy: 0.044 local terms energy: -415.389879 where: bonds (distance) C4'-P energy: -80.128 bonds (distance) P-C4' energy: -89.036 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -62.101 tors. eta vs tors. theta energy: -89.095 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: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1079.111802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.111802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.111802 (E_RNA) where: Base-Base interactions energy: -659.296 where: short stacking energy: -323.187 Base-Backbone interact. energy: 8.585 local terms energy: -428.401070 where: bonds (distance) C4'-P energy: -81.450 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -95.348 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: -92.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -839.439159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.439159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.439159 (E_RNA) where: Base-Base interactions energy: -480.240 where: short stacking energy: -242.160 Base-Backbone interact. energy: -1.612 local terms energy: -357.586773 where: bonds (distance) C4'-P energy: -91.110 bonds (distance) P-C4' energy: -89.312 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -59.643 tors. eta vs tors. theta energy: -33.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -700.175981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.175981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.175981 (E_RNA) where: Base-Base interactions energy: -382.390 where: short stacking energy: -194.783 Base-Backbone interact. energy: -2.581 local terms energy: -315.204436 where: bonds (distance) C4'-P energy: -86.669 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -92.522 flat angles P-C4'-P energy: -32.978 tors. eta vs tors. theta energy: -16.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -570.420483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.420483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.420483 (E_RNA) where: Base-Base interactions energy: -272.778 where: short stacking energy: -154.277 Base-Backbone interact. energy: 3.390 local terms energy: -301.031628 where: bonds (distance) C4'-P energy: -66.751 bonds (distance) P-C4' energy: -92.095 flat angles C4'-P-C4' energy: -78.546 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -399.827299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.827299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.827299 (E_RNA) where: Base-Base interactions energy: -147.046 where: short stacking energy: -113.834 Base-Backbone interact. energy: -1.569 local terms energy: -251.212120 where: bonds (distance) C4'-P energy: -72.291 bonds (distance) P-C4' energy: -81.437 flat angles C4'-P-C4' energy: -69.400 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: 10.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1551.339252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.339252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.339252 (E_RNA) where: Base-Base interactions energy: -1034.885 where: short stacking energy: -475.039 Base-Backbone interact. energy: -0.103 local terms energy: -516.351466 where: bonds (distance) C4'-P energy: -88.862 bonds (distance) P-C4' energy: -100.387 flat angles C4'-P-C4' energy: -115.663 flat angles P-C4'-P energy: -69.029 tors. eta vs tors. theta energy: -142.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1502.712292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.712292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.712292 (E_RNA) where: Base-Base interactions energy: -1026.298 where: short stacking energy: -478.520 Base-Backbone interact. energy: -3.090 local terms energy: -473.324929 where: bonds (distance) C4'-P energy: -82.582 bonds (distance) P-C4' energy: -86.692 flat angles C4'-P-C4' energy: -105.017 flat angles P-C4'-P energy: -62.790 tors. eta vs tors. theta energy: -136.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1403.287317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.287317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.287317 (E_RNA) where: Base-Base interactions energy: -942.302 where: short stacking energy: -437.780 Base-Backbone interact. energy: 0.746 local terms energy: -461.730891 where: bonds (distance) C4'-P energy: -89.163 bonds (distance) P-C4' energy: -90.013 flat angles C4'-P-C4' energy: -95.838 flat angles P-C4'-P energy: -65.302 tors. eta vs tors. theta energy: -121.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1286.218238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.218238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.218238 (E_RNA) where: Base-Base interactions energy: -839.911 where: short stacking energy: -388.486 Base-Backbone interact. energy: -1.379 local terms energy: -444.928852 where: bonds (distance) C4'-P energy: -75.073 bonds (distance) P-C4' energy: -97.078 flat angles C4'-P-C4' energy: -93.202 flat angles P-C4'-P energy: -69.970 tors. eta vs tors. theta energy: -109.606 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: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1112.417694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.417694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.417694 (E_RNA) where: Base-Base interactions energy: -716.054 where: short stacking energy: -343.842 Base-Backbone interact. energy: -1.222 local terms energy: -395.142156 where: bonds (distance) C4'-P energy: -85.257 bonds (distance) P-C4' energy: -80.406 flat angles C4'-P-C4' energy: -96.237 flat angles P-C4'-P energy: -57.477 tors. eta vs tors. theta energy: -75.765 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: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1022.656404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.656404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.656404 (E_RNA) where: Base-Base interactions energy: -675.399 where: short stacking energy: -317.144 Base-Backbone interact. energy: 0.924 local terms energy: -348.180759 where: bonds (distance) C4'-P energy: -85.159 bonds (distance) P-C4' energy: -80.173 flat angles C4'-P-C4' energy: -71.196 flat angles P-C4'-P energy: -39.347 tors. eta vs tors. theta energy: -72.306 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: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -884.546602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.546602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.546602 (E_RNA) where: Base-Base interactions energy: -541.691 where: short stacking energy: -265.243 Base-Backbone interact. energy: -2.325 local terms energy: -340.530551 where: bonds (distance) C4'-P energy: -85.073 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -83.579 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -45.736 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: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -678.628112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.628112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.628112 (E_RNA) where: Base-Base interactions energy: -366.480 where: short stacking energy: -183.726 Base-Backbone interact. energy: -1.131 local terms energy: -311.017063 where: bonds (distance) C4'-P energy: -91.172 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -24.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -548.324653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.324653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.324653 (E_RNA) where: Base-Base interactions energy: -266.007 where: short stacking energy: -151.891 Base-Backbone interact. energy: -2.337 local terms energy: -279.980950 where: bonds (distance) C4'-P energy: -83.944 bonds (distance) P-C4' energy: -90.719 flat angles C4'-P-C4' energy: -57.800 flat angles P-C4'-P energy: -42.336 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -376.084529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.084529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.084529 (E_RNA) where: Base-Base interactions energy: -123.061 where: short stacking energy: -113.039 Base-Backbone interact. energy: 1.007 local terms energy: -254.030684 where: bonds (distance) C4'-P energy: -65.138 bonds (distance) P-C4' energy: -89.032 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -39.947 tors. eta vs tors. theta energy: 10.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1575.732003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.732003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.732003 (E_RNA) where: Base-Base interactions energy: -1039.015 where: short stacking energy: -476.756 Base-Backbone interact. energy: -3.692 local terms energy: -533.024510 where: bonds (distance) C4'-P energy: -100.611 bonds (distance) P-C4' energy: -102.554 flat angles C4'-P-C4' energy: -108.390 flat angles P-C4'-P energy: -74.910 tors. eta vs tors. theta energy: -146.559 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: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1485.092123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.092123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.092123 (E_RNA) where: Base-Base interactions energy: -1001.472 where: short stacking energy: -431.760 Base-Backbone interact. energy: 1.324 local terms energy: -484.944152 where: bonds (distance) C4'-P energy: -95.020 bonds (distance) P-C4' energy: -90.958 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -124.062 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: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1405.905699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.905699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.905699 (E_RNA) where: Base-Base interactions energy: -933.548 where: short stacking energy: -418.829 Base-Backbone interact. energy: 0.742 local terms energy: -473.099158 where: bonds (distance) C4'-P energy: -95.725 bonds (distance) P-C4' energy: -84.550 flat angles C4'-P-C4' energy: -97.904 flat angles P-C4'-P energy: -65.544 tors. eta vs tors. theta energy: -129.376 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: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1273.917539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.917539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.917539 (E_RNA) where: Base-Base interactions energy: -830.243 where: short stacking energy: -372.654 Base-Backbone interact. energy: 0.077 local terms energy: -443.751668 where: bonds (distance) C4'-P energy: -91.640 bonds (distance) P-C4' energy: -90.831 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -62.764 tors. eta vs tors. theta energy: -107.594 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: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1124.118236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.118236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.118236 (E_RNA) where: Base-Base interactions energy: -709.688 where: short stacking energy: -329.038 Base-Backbone interact. energy: -2.754 local terms energy: -411.676426 where: bonds (distance) C4'-P energy: -91.514 bonds (distance) P-C4' energy: -86.238 flat angles C4'-P-C4' energy: -95.924 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -86.411 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: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1087.104854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.104854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.104854 (E_RNA) where: Base-Base interactions energy: -695.055 where: short stacking energy: -331.902 Base-Backbone interact. energy: -0.762 local terms energy: -391.288179 where: bonds (distance) C4'-P energy: -72.142 bonds (distance) P-C4' energy: -91.094 flat angles C4'-P-C4' energy: -81.914 flat angles P-C4'-P energy: -52.868 tors. eta vs tors. theta energy: -93.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -856.202825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.202825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.202825 (E_RNA) where: Base-Base interactions energy: -518.360 where: short stacking energy: -249.639 Base-Backbone interact. energy: -0.493 local terms energy: -337.349817 where: bonds (distance) C4'-P energy: -82.777 bonds (distance) P-C4' energy: -83.960 flat angles C4'-P-C4' energy: -85.148 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -42.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -695.413166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.413166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.413166 (E_RNA) where: Base-Base interactions energy: -385.602 where: short stacking energy: -194.107 Base-Backbone interact. energy: -2.192 local terms energy: -307.619584 where: bonds (distance) C4'-P energy: -71.859 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -19.700 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: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -540.130520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.130520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.130520 (E_RNA) where: Base-Base interactions energy: -265.297 where: short stacking energy: -151.081 Base-Backbone interact. energy: 3.891 local terms energy: -278.724603 where: bonds (distance) C4'-P energy: -85.771 bonds (distance) P-C4' energy: -78.113 flat angles C4'-P-C4' energy: -60.085 flat angles P-C4'-P energy: -54.214 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -402.306674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.306674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.306674 (E_RNA) where: Base-Base interactions energy: -145.939 where: short stacking energy: -102.467 Base-Backbone interact. energy: -0.245 local terms energy: -256.122401 where: bonds (distance) C4'-P energy: -69.803 bonds (distance) P-C4' energy: -84.639 flat angles C4'-P-C4' energy: -60.415 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: 4.547 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: 446 Temperature: 0.900000 Total energy: -1549.706589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.706589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.706589 (E_RNA) where: Base-Base interactions energy: -1014.524 where: short stacking energy: -484.413 Base-Backbone interact. energy: -3.031 local terms energy: -532.151393 where: bonds (distance) C4'-P energy: -95.420 bonds (distance) P-C4' energy: -102.356 flat angles C4'-P-C4' energy: -110.590 flat angles P-C4'-P energy: -72.254 tors. eta vs tors. theta energy: -151.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1494.382911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.382911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.382911 (E_RNA) where: Base-Base interactions energy: -997.010 where: short stacking energy: -452.107 Base-Backbone interact. energy: -0.071 local terms energy: -497.302372 where: bonds (distance) C4'-P energy: -96.298 bonds (distance) P-C4' energy: -92.224 flat angles C4'-P-C4' energy: -99.567 flat angles P-C4'-P energy: -80.247 tors. eta vs tors. theta energy: -128.965 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: 446 Temperature: 1.000000 Total energy: -1416.687858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.687858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.687858 (E_RNA) where: Base-Base interactions energy: -944.711 where: short stacking energy: -417.837 Base-Backbone interact. energy: -2.084 local terms energy: -469.892977 where: bonds (distance) C4'-P energy: -90.203 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -129.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1286.998407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.998407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.998407 (E_RNA) where: Base-Base interactions energy: -836.058 where: short stacking energy: -406.872 Base-Backbone interact. energy: -3.509 local terms energy: -447.432044 where: bonds (distance) C4'-P energy: -88.711 bonds (distance) P-C4' energy: -87.732 flat angles C4'-P-C4' energy: -107.538 flat angles P-C4'-P energy: -57.469 tors. eta vs tors. theta energy: -105.982 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: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1128.927298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.927298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.927298 (E_RNA) where: Base-Base interactions energy: -723.922 where: short stacking energy: -355.496 Base-Backbone interact. energy: -1.476 local terms energy: -403.529785 where: bonds (distance) C4'-P energy: -81.654 bonds (distance) P-C4' energy: -72.392 flat angles C4'-P-C4' energy: -90.623 flat angles P-C4'-P energy: -62.488 tors. eta vs tors. theta energy: -96.372 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: 9 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1069.606852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.606852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.606852 (E_RNA) where: Base-Base interactions energy: -673.639 where: short stacking energy: -297.150 Base-Backbone interact. energy: -1.173 local terms energy: -394.794709 where: bonds (distance) C4'-P energy: -87.811 bonds (distance) P-C4' energy: -99.061 flat angles C4'-P-C4' energy: -90.096 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -71.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -747.087878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.087878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.087878 (E_RNA) where: Base-Base interactions energy: -422.765 where: short stacking energy: -219.552 Base-Backbone interact. energy: -0.114 local terms energy: -324.208878 where: bonds (distance) C4'-P energy: -82.400 bonds (distance) P-C4' energy: -96.005 flat angles C4'-P-C4' energy: -77.262 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: -25.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -813.328868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.328868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.328868 (E_RNA) where: Base-Base interactions energy: -497.529 where: short stacking energy: -235.571 Base-Backbone interact. energy: -0.456 local terms energy: -315.343417 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -74.865 flat angles P-C4'-P energy: -43.630 tors. eta vs tors. theta energy: -41.040 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: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -565.276953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.276953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.276953 (E_RNA) where: Base-Base interactions energy: -279.291 where: short stacking energy: -174.128 Base-Backbone interact. energy: 3.063 local terms energy: -289.048765 where: bonds (distance) C4'-P energy: -79.109 bonds (distance) P-C4' energy: -83.357 flat angles C4'-P-C4' energy: -68.208 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -405.672372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.672372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.672372 (E_RNA) where: Base-Base interactions energy: -155.446 where: short stacking energy: -115.171 Base-Backbone interact. energy: 0.095 local terms energy: -250.320671 where: bonds (distance) C4'-P energy: -84.072 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -70.001 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: 14.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1551.599809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.599809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.599809 (E_RNA) where: Base-Base interactions energy: -1043.978 where: short stacking energy: -487.302 Base-Backbone interact. energy: -3.256 local terms energy: -504.365989 where: bonds (distance) C4'-P energy: -88.441 bonds (distance) P-C4' energy: -88.739 flat angles C4'-P-C4' energy: -112.161 flat angles P-C4'-P energy: -71.507 tors. eta vs tors. theta energy: -143.518 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: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1509.661578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.661578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.661578 (E_RNA) where: Base-Base interactions energy: -1018.062 where: short stacking energy: -430.005 Base-Backbone interact. energy: -3.400 local terms energy: -488.199195 where: bonds (distance) C4'-P energy: -89.512 bonds (distance) P-C4' energy: -98.199 flat angles C4'-P-C4' energy: -101.011 flat angles P-C4'-P energy: -68.589 tors. eta vs tors. theta energy: -130.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1410.808694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.808694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.808694 (E_RNA) where: Base-Base interactions energy: -919.335 where: short stacking energy: -434.992 Base-Backbone interact. energy: -0.618 local terms energy: -490.856454 where: bonds (distance) C4'-P energy: -90.553 bonds (distance) P-C4' energy: -90.499 flat angles C4'-P-C4' energy: -98.254 flat angles P-C4'-P energy: -77.923 tors. eta vs tors. theta energy: -133.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1261.673391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.673391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.673391 (E_RNA) where: Base-Base interactions energy: -843.583 where: short stacking energy: -362.972 Base-Backbone interact. energy: -1.584 local terms energy: -416.506774 where: bonds (distance) C4'-P energy: -76.662 bonds (distance) P-C4' energy: -96.751 flat angles C4'-P-C4' energy: -91.975 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -89.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1114.078224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.078224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.078224 (E_RNA) where: Base-Base interactions energy: -690.507 where: short stacking energy: -317.423 Base-Backbone interact. energy: 0.451 local terms energy: -424.022237 where: bonds (distance) C4'-P energy: -79.539 bonds (distance) P-C4' energy: -89.866 flat angles C4'-P-C4' energy: -102.045 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: -88.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1075.322020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.322020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.322020 (E_RNA) where: Base-Base interactions energy: -675.075 where: short stacking energy: -317.680 Base-Backbone interact. energy: 1.431 local terms energy: -401.678175 where: bonds (distance) C4'-P energy: -91.484 bonds (distance) P-C4' energy: -91.246 flat angles C4'-P-C4' energy: -76.700 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -86.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -716.801289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.801289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.801289 (E_RNA) where: Base-Base interactions energy: -400.075 where: short stacking energy: -210.005 Base-Backbone interact. energy: -4.078 local terms energy: -312.647799 where: bonds (distance) C4'-P energy: -80.807 bonds (distance) P-C4' energy: -89.810 flat angles C4'-P-C4' energy: -61.483 flat angles P-C4'-P energy: -54.945 tors. eta vs tors. theta energy: -25.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -841.526653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.526653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.526653 (E_RNA) where: Base-Base interactions energy: -504.673 where: short stacking energy: -245.161 Base-Backbone interact. energy: -2.781 local terms energy: -334.072994 where: bonds (distance) C4'-P energy: -79.391 bonds (distance) P-C4' energy: -88.688 flat angles C4'-P-C4' energy: -78.813 flat angles P-C4'-P energy: -41.288 tors. eta vs tors. theta energy: -45.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -565.436768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.436768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.436768 (E_RNA) where: Base-Base interactions energy: -268.131 where: short stacking energy: -176.575 Base-Backbone interact. energy: 2.142 local terms energy: -299.447723 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -87.124 flat angles C4'-P-C4' energy: -60.793 flat angles P-C4'-P energy: -40.658 tors. eta vs tors. theta energy: -18.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -389.453052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.453052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.453052 (E_RNA) where: Base-Base interactions energy: -159.895 where: short stacking energy: -126.332 Base-Backbone interact. energy: 2.501 local terms energy: -232.058286 where: bonds (distance) C4'-P energy: -67.747 bonds (distance) P-C4' energy: -72.883 flat angles C4'-P-C4' energy: -74.753 flat angles P-C4'-P energy: -32.263 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: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1530.125173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.125173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.125173 (E_RNA) where: Base-Base interactions energy: -1046.914 where: short stacking energy: -466.233 Base-Backbone interact. energy: -5.059 local terms energy: -478.152706 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -92.169 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -133.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1515.398650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.398650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.398650 (E_RNA) where: Base-Base interactions energy: -1010.485 where: short stacking energy: -428.370 Base-Backbone interact. energy: -2.479 local terms energy: -502.435349 where: bonds (distance) C4'-P energy: -86.649 bonds (distance) P-C4' energy: -102.882 flat angles C4'-P-C4' energy: -103.393 flat angles P-C4'-P energy: -79.199 tors. eta vs tors. theta energy: -130.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1413.613559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.613559 (E_RNA) where: Base-Base interactions energy: -922.710 where: short stacking energy: -428.929 Base-Backbone interact. energy: 0.655 local terms energy: -491.558365 where: bonds (distance) C4'-P energy: -86.584 bonds (distance) P-C4' energy: -92.877 flat angles C4'-P-C4' energy: -99.318 flat angles P-C4'-P energy: -72.651 tors. eta vs tors. theta energy: -140.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1261.840695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.840695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.840695 (E_RNA) where: Base-Base interactions energy: -819.036 where: short stacking energy: -373.499 Base-Backbone interact. energy: -1.911 local terms energy: -440.894359 where: bonds (distance) C4'-P energy: -88.045 bonds (distance) P-C4' energy: -94.134 flat angles C4'-P-C4' energy: -91.335 flat angles P-C4'-P energy: -59.043 tors. eta vs tors. theta energy: -108.337 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: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1144.196394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.196394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.196394 (E_RNA) where: Base-Base interactions energy: -729.107 where: short stacking energy: -349.657 Base-Backbone interact. energy: -2.575 local terms energy: -412.514202 where: bonds (distance) C4'-P energy: -91.999 bonds (distance) P-C4' energy: -82.151 flat angles C4'-P-C4' energy: -97.874 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -83.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1077.844777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.844777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.844777 (E_RNA) where: Base-Base interactions energy: -691.164 where: short stacking energy: -314.816 Base-Backbone interact. energy: 1.469 local terms energy: -388.149628 where: bonds (distance) C4'-P energy: -85.807 bonds (distance) P-C4' energy: -89.462 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -50.967 tors. eta vs tors. theta energy: -72.699 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: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -729.034924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.034924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.034924 (E_RNA) where: Base-Base interactions energy: -397.713 where: short stacking energy: -199.602 Base-Backbone interact. energy: 0.714 local terms energy: -332.036544 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -87.962 flat angles C4'-P-C4' energy: -63.442 flat angles P-C4'-P energy: -57.952 tors. eta vs tors. theta energy: -33.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -818.564839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.564839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.564839 (E_RNA) where: Base-Base interactions energy: -485.143 where: short stacking energy: -227.270 Base-Backbone interact. energy: 0.186 local terms energy: -333.607607 where: bonds (distance) C4'-P energy: -81.567 bonds (distance) P-C4' energy: -86.762 flat angles C4'-P-C4' energy: -79.813 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -33.631 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: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -547.754301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.754301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.754301 (E_RNA) where: Base-Base interactions energy: -270.334 where: short stacking energy: -170.048 Base-Backbone interact. energy: 0.540 local terms energy: -277.960223 where: bonds (distance) C4'-P energy: -75.382 bonds (distance) P-C4' energy: -80.711 flat angles C4'-P-C4' energy: -63.785 flat angles P-C4'-P energy: -41.905 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -417.101235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.101235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.101235 (E_RNA) where: Base-Base interactions energy: -157.724 where: short stacking energy: -108.308 Base-Backbone interact. energy: -2.413 local terms energy: -256.964346 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -84.359 flat angles C4'-P-C4' energy: -72.367 flat angles P-C4'-P energy: -34.726 tors. eta vs tors. theta energy: 11.396 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: 449 Temperature: 0.900000 Total energy: -1561.877597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.877597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.877597 (E_RNA) where: Base-Base interactions energy: -1040.875 where: short stacking energy: -457.429 Base-Backbone interact. energy: -2.462 local terms energy: -518.540713 where: bonds (distance) C4'-P energy: -90.966 bonds (distance) P-C4' energy: -95.054 flat angles C4'-P-C4' energy: -113.610 flat angles P-C4'-P energy: -73.242 tors. eta vs tors. theta energy: -145.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1505.658037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.658037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.658037 (E_RNA) where: Base-Base interactions energy: -1020.107 where: short stacking energy: -442.671 Base-Backbone interact. energy: -2.335 local terms energy: -483.216011 where: bonds (distance) C4'-P energy: -89.712 bonds (distance) P-C4' energy: -92.300 flat angles C4'-P-C4' energy: -100.647 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -127.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1376.243957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.243957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.243957 (E_RNA) where: Base-Base interactions energy: -915.048 where: short stacking energy: -414.911 Base-Backbone interact. energy: 0.814 local terms energy: -462.010047 where: bonds (distance) C4'-P energy: -94.901 bonds (distance) P-C4' energy: -95.304 flat angles C4'-P-C4' energy: -101.368 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -112.042 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: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1273.710159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.710159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.710159 (E_RNA) where: Base-Base interactions energy: -832.894 where: short stacking energy: -394.882 Base-Backbone interact. energy: 1.043 local terms energy: -441.859120 where: bonds (distance) C4'-P energy: -92.007 bonds (distance) P-C4' energy: -85.961 flat angles C4'-P-C4' energy: -101.102 flat angles P-C4'-P energy: -57.312 tors. eta vs tors. theta energy: -105.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1118.989860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.989860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.989860 (E_RNA) where: Base-Base interactions energy: -724.215 where: short stacking energy: -335.676 Base-Backbone interact. energy: -1.482 local terms energy: -393.292732 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -95.082 flat angles P-C4'-P energy: -57.746 tors. eta vs tors. theta energy: -65.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1037.945921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.945921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.945921 (E_RNA) where: Base-Base interactions energy: -653.862 where: short stacking energy: -305.757 Base-Backbone interact. energy: -0.341 local terms energy: -383.743064 where: bonds (distance) C4'-P energy: -94.818 bonds (distance) P-C4' energy: -73.975 flat angles C4'-P-C4' energy: -80.933 flat angles P-C4'-P energy: -69.455 tors. eta vs tors. theta energy: -64.563 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: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -760.956736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.956736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.956736 (E_RNA) where: Base-Base interactions energy: -413.924 where: short stacking energy: -228.189 Base-Backbone interact. energy: -0.945 local terms energy: -346.087046 where: bonds (distance) C4'-P energy: -76.425 bonds (distance) P-C4' energy: -96.267 flat angles C4'-P-C4' energy: -91.088 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: -32.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -796.040213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.040213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.040213 (E_RNA) where: Base-Base interactions energy: -523.670 where: short stacking energy: -239.512 Base-Backbone interact. energy: -1.143 local terms energy: -271.226740 where: bonds (distance) C4'-P energy: -68.752 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -65.619 flat angles P-C4'-P energy: -40.298 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: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -548.661234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.661234 (E_RNA) where: Base-Base interactions energy: -254.627 where: short stacking energy: -148.058 Base-Backbone interact. energy: -0.400 local terms energy: -293.633434 where: bonds (distance) C4'-P energy: -85.094 bonds (distance) P-C4' energy: -87.034 flat angles C4'-P-C4' energy: -81.389 flat angles P-C4'-P energy: -31.557 tors. eta vs tors. theta energy: -8.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -392.236603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.236603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.236603 (E_RNA) where: Base-Base interactions energy: -150.032 where: short stacking energy: -116.861 Base-Backbone interact. energy: -0.799 local terms energy: -241.405582 where: bonds (distance) C4'-P energy: -70.287 bonds (distance) P-C4' energy: -95.677 flat angles C4'-P-C4' energy: -61.385 flat angles P-C4'-P energy: -17.237 tors. eta vs tors. theta energy: 3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1541.854229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.854229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.854229 (E_RNA) where: Base-Base interactions energy: -1046.546 where: short stacking energy: -469.577 Base-Backbone interact. energy: -1.339 local terms energy: -493.969226 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -100.297 flat angles C4'-P-C4' energy: -109.030 flat angles P-C4'-P energy: -64.248 tors. eta vs tors. theta energy: -137.221 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: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1516.605417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.605417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.605417 (E_RNA) where: Base-Base interactions energy: -1012.733 where: short stacking energy: -436.265 Base-Backbone interact. energy: -0.938 local terms energy: -502.933875 where: bonds (distance) C4'-P energy: -90.957 bonds (distance) P-C4' energy: -93.776 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -69.102 tors. eta vs tors. theta energy: -142.850 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: 450 Temperature: 1.000000 Total energy: -1350.274420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.274420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.274420 (E_RNA) where: Base-Base interactions energy: -888.886 where: short stacking energy: -396.045 Base-Backbone interact. energy: -1.412 local terms energy: -459.975658 where: bonds (distance) C4'-P energy: -82.088 bonds (distance) P-C4' energy: -89.916 flat angles C4'-P-C4' energy: -103.481 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -113.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1247.278010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.278010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.278010 (E_RNA) where: Base-Base interactions energy: -809.962 where: short stacking energy: -357.526 Base-Backbone interact. energy: -0.162 local terms energy: -437.154051 where: bonds (distance) C4'-P energy: -77.312 bonds (distance) P-C4' energy: -99.869 flat angles C4'-P-C4' energy: -104.244 flat angles P-C4'-P energy: -59.564 tors. eta vs tors. theta energy: -96.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1114.490301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.490301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.490301 (E_RNA) where: Base-Base interactions energy: -678.214 where: short stacking energy: -335.625 Base-Backbone interact. energy: -1.902 local terms energy: -434.374643 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -100.095 flat angles C4'-P-C4' energy: -98.736 flat angles P-C4'-P energy: -61.119 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: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1081.143194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.143194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.143194 (E_RNA) where: Base-Base interactions energy: -686.646 where: short stacking energy: -309.052 Base-Backbone interact. energy: -3.661 local terms energy: -390.836610 where: bonds (distance) C4'-P energy: -77.020 bonds (distance) P-C4' energy: -88.299 flat angles C4'-P-C4' energy: -92.850 flat angles P-C4'-P energy: -63.248 tors. eta vs tors. theta energy: -69.420 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: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -825.081824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.081824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.081824 (E_RNA) where: Base-Base interactions energy: -483.281 where: short stacking energy: -241.604 Base-Backbone interact. energy: -2.668 local terms energy: -339.132878 where: bonds (distance) C4'-P energy: -79.969 bonds (distance) P-C4' energy: -77.552 flat angles C4'-P-C4' energy: -82.939 flat angles P-C4'-P energy: -57.802 tors. eta vs tors. theta energy: -40.871 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: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -688.765273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.765273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.765273 (E_RNA) where: Base-Base interactions energy: -381.160 where: short stacking energy: -196.458 Base-Backbone interact. energy: 7.318 local terms energy: -314.923711 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -81.155 flat angles C4'-P-C4' energy: -76.690 flat angles P-C4'-P energy: -56.577 tors. eta vs tors. theta energy: -25.213 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: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -558.914850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.914850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.914850 (E_RNA) where: Base-Base interactions energy: -262.797 where: short stacking energy: -136.227 Base-Backbone interact. energy: -3.515 local terms energy: -292.602877 where: bonds (distance) C4'-P energy: -85.747 bonds (distance) P-C4' energy: -87.844 flat angles C4'-P-C4' energy: -68.089 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: 4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -408.279555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.279555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.279555 (E_RNA) where: Base-Base interactions energy: -151.375 where: short stacking energy: -129.521 Base-Backbone interact. energy: -0.052 local terms energy: -256.852374 where: bonds (distance) C4'-P energy: -73.711 bonds (distance) P-C4' energy: -79.610 flat angles C4'-P-C4' energy: -59.521 flat angles P-C4'-P energy: -40.211 tors. eta vs tors. theta energy: -3.799 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: 451 Temperature: 0.900000 Total energy: -1540.864697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.864697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.864697 (E_RNA) where: Base-Base interactions energy: -1021.520 where: short stacking energy: -463.726 Base-Backbone interact. energy: -1.827 local terms energy: -517.517937 where: bonds (distance) C4'-P energy: -94.140 bonds (distance) P-C4' energy: -104.615 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -71.538 tors. eta vs tors. theta energy: -140.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1514.830219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.830219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.830219 (E_RNA) where: Base-Base interactions energy: -1006.777 where: short stacking energy: -442.765 Base-Backbone interact. energy: -0.675 local terms energy: -507.377878 where: bonds (distance) C4'-P energy: -95.474 bonds (distance) P-C4' energy: -89.330 flat angles C4'-P-C4' energy: -113.056 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -136.461 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: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1356.751952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.751952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.751952 (E_RNA) where: Base-Base interactions energy: -891.327 where: short stacking energy: -403.917 Base-Backbone interact. energy: -1.975 local terms energy: -463.449651 where: bonds (distance) C4'-P energy: -82.713 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -107.915 flat angles P-C4'-P energy: -66.256 tors. eta vs tors. theta energy: -118.535 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: 451 Temperature: 1.050000 Total energy: -1244.588615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.588615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.588615 (E_RNA) where: Base-Base interactions energy: -799.499 where: short stacking energy: -371.950 Base-Backbone interact. energy: -2.230 local terms energy: -442.859740 where: bonds (distance) C4'-P energy: -93.161 bonds (distance) P-C4' energy: -92.971 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -62.940 tors. eta vs tors. theta energy: -98.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1113.852245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.852245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.852245 (E_RNA) where: Base-Base interactions energy: -691.331 where: short stacking energy: -348.492 Base-Backbone interact. energy: 2.028 local terms energy: -424.549053 where: bonds (distance) C4'-P energy: -92.142 bonds (distance) P-C4' energy: -94.926 flat angles C4'-P-C4' energy: -99.858 flat angles P-C4'-P energy: -52.933 tors. eta vs tors. theta energy: -84.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1081.250292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.250292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.250292 (E_RNA) where: Base-Base interactions energy: -686.422 where: short stacking energy: -308.880 Base-Backbone interact. energy: 0.135 local terms energy: -394.963459 where: bonds (distance) C4'-P energy: -82.526 bonds (distance) P-C4' energy: -89.116 flat angles C4'-P-C4' energy: -86.283 flat angles P-C4'-P energy: -57.074 tors. eta vs tors. theta energy: -79.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -873.157509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.157509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.157509 (E_RNA) where: Base-Base interactions energy: -523.381 where: short stacking energy: -241.526 Base-Backbone interact. energy: -1.394 local terms energy: -348.382581 where: bonds (distance) C4'-P energy: -78.418 bonds (distance) P-C4' energy: -84.940 flat angles C4'-P-C4' energy: -79.291 flat angles P-C4'-P energy: -57.216 tors. eta vs tors. theta energy: -48.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -687.013567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.013567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.013567 (E_RNA) where: Base-Base interactions energy: -371.765 where: short stacking energy: -217.913 Base-Backbone interact. energy: -0.832 local terms energy: -314.417284 where: bonds (distance) C4'-P energy: -71.984 bonds (distance) P-C4' energy: -78.341 flat angles C4'-P-C4' energy: -87.657 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -34.966 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: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -529.855700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.855700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.855700 (E_RNA) where: Base-Base interactions energy: -247.686 where: short stacking energy: -144.975 Base-Backbone interact. energy: 1.570 local terms energy: -283.739682 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -61.107 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: 3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -373.920220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.920220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.920220 (E_RNA) where: Base-Base interactions energy: -121.771 where: short stacking energy: -100.621 Base-Backbone interact. energy: 3.760 local terms energy: -255.908976 where: bonds (distance) C4'-P energy: -78.501 bonds (distance) P-C4' energy: -86.605 flat angles C4'-P-C4' energy: -76.296 flat angles P-C4'-P energy: -41.179 tors. eta vs tors. theta energy: 26.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1541.804136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.804136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.804136 (E_RNA) where: Base-Base interactions energy: -1054.526 where: short stacking energy: -457.223 Base-Backbone interact. energy: -1.763 local terms energy: -485.515224 where: bonds (distance) C4'-P energy: -86.695 bonds (distance) P-C4' energy: -100.185 flat angles C4'-P-C4' energy: -103.171 flat angles P-C4'-P energy: -64.530 tors. eta vs tors. theta energy: -130.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1499.034182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.034182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.034182 (E_RNA) where: Base-Base interactions energy: -1018.560 where: short stacking energy: -457.259 Base-Backbone interact. energy: -2.248 local terms energy: -478.226631 where: bonds (distance) C4'-P energy: -72.440 bonds (distance) P-C4' energy: -93.782 flat angles C4'-P-C4' energy: -101.923 flat angles P-C4'-P energy: -73.587 tors. eta vs tors. theta energy: -136.494 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: 452 Temperature: 1.000000 Total energy: -1335.867503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.867503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.867503 (E_RNA) where: Base-Base interactions energy: -888.176 where: short stacking energy: -390.025 Base-Backbone interact. energy: -3.714 local terms energy: -443.976927 where: bonds (distance) C4'-P energy: -84.664 bonds (distance) P-C4' energy: -94.778 flat angles C4'-P-C4' energy: -90.458 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: -112.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1276.226344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.226344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.226344 (E_RNA) where: Base-Base interactions energy: -806.319 where: short stacking energy: -390.856 Base-Backbone interact. energy: -4.094 local terms energy: -465.813184 where: bonds (distance) C4'-P energy: -83.061 bonds (distance) P-C4' energy: -89.372 flat angles C4'-P-C4' energy: -104.835 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: -119.391 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: 9 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1147.350937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.350937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.350937 (E_RNA) where: Base-Base interactions energy: -723.943 where: short stacking energy: -340.736 Base-Backbone interact. energy: -2.952 local terms energy: -420.455464 where: bonds (distance) C4'-P energy: -96.473 bonds (distance) P-C4' energy: -83.038 flat angles C4'-P-C4' energy: -88.526 flat angles P-C4'-P energy: -57.953 tors. eta vs tors. theta energy: -94.466 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: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1081.268963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.268963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.268963 (E_RNA) where: Base-Base interactions energy: -686.395 where: short stacking energy: -312.927 Base-Backbone interact. energy: -1.988 local terms energy: -392.885219 where: bonds (distance) C4'-P energy: -81.188 bonds (distance) P-C4' energy: -95.121 flat angles C4'-P-C4' energy: -92.698 flat angles P-C4'-P energy: -53.681 tors. eta vs tors. theta energy: -70.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -905.493056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.493056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.493056 (E_RNA) where: Base-Base interactions energy: -571.385 where: short stacking energy: -271.215 Base-Backbone interact. energy: 2.769 local terms energy: -336.877147 where: bonds (distance) C4'-P energy: -80.322 bonds (distance) P-C4' energy: -92.147 flat angles C4'-P-C4' energy: -89.640 flat angles P-C4'-P energy: -36.450 tors. eta vs tors. theta energy: -38.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -656.030572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.030572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.030572 (E_RNA) where: Base-Base interactions energy: -353.851 where: short stacking energy: -170.476 Base-Backbone interact. energy: 2.824 local terms energy: -305.003347 where: bonds (distance) C4'-P energy: -85.871 bonds (distance) P-C4' energy: -97.926 flat angles C4'-P-C4' energy: -64.146 flat angles P-C4'-P energy: -54.287 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -557.458379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.458379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.458379 (E_RNA) where: Base-Base interactions energy: -272.845 where: short stacking energy: -159.474 Base-Backbone interact. energy: -2.268 local terms energy: -282.345144 where: bonds (distance) C4'-P energy: -74.557 bonds (distance) P-C4' energy: -75.576 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -47.310 tors. eta vs tors. theta energy: -13.869 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: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -385.456159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.456159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.456159 (E_RNA) where: Base-Base interactions energy: -125.009 where: short stacking energy: -117.589 Base-Backbone interact. energy: 0.980 local terms energy: -261.427269 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -81.980 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -51.576 tors. eta vs tors. theta energy: 8.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1575.652607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.652607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.652607 (E_RNA) where: Base-Base interactions energy: -1055.947 where: short stacking energy: -469.651 Base-Backbone interact. energy: -1.875 local terms energy: -517.829967 where: bonds (distance) C4'-P energy: -101.929 bonds (distance) P-C4' energy: -92.439 flat angles C4'-P-C4' energy: -109.964 flat angles P-C4'-P energy: -76.345 tors. eta vs tors. theta energy: -137.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1481.474332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.474332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.474332 (E_RNA) where: Base-Base interactions energy: -977.980 where: short stacking energy: -454.186 Base-Backbone interact. energy: 0.359 local terms energy: -503.853603 where: bonds (distance) C4'-P energy: -94.551 bonds (distance) P-C4' energy: -94.868 flat angles C4'-P-C4' energy: -113.837 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -132.191 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: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1363.354070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.354070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.354070 (E_RNA) where: Base-Base interactions energy: -903.968 where: short stacking energy: -417.265 Base-Backbone interact. energy: -1.245 local terms energy: -458.141374 where: bonds (distance) C4'-P energy: -87.063 bonds (distance) P-C4' energy: -92.546 flat angles C4'-P-C4' energy: -97.973 flat angles P-C4'-P energy: -68.192 tors. eta vs tors. theta energy: -112.368 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: 453 Temperature: 1.050000 Total energy: -1278.567387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.567387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.567387 (E_RNA) where: Base-Base interactions energy: -852.007 where: short stacking energy: -401.554 Base-Backbone interact. energy: 2.527 local terms energy: -429.087304 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -82.275 flat angles C4'-P-C4' energy: -100.078 flat angles P-C4'-P energy: -50.981 tors. eta vs tors. theta energy: -117.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1104.995665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.995665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.995665 (E_RNA) where: Base-Base interactions energy: -698.085 where: short stacking energy: -334.081 Base-Backbone interact. energy: -0.216 local terms energy: -406.693942 where: bonds (distance) C4'-P energy: -90.993 bonds (distance) P-C4' energy: -90.804 flat angles C4'-P-C4' energy: -86.578 flat angles P-C4'-P energy: -60.681 tors. eta vs tors. theta energy: -77.637 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: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1067.805895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.805895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.805895 (E_RNA) where: Base-Base interactions energy: -675.005 where: short stacking energy: -332.371 Base-Backbone interact. energy: -1.577 local terms energy: -391.224080 where: bonds (distance) C4'-P energy: -80.628 bonds (distance) P-C4' energy: -96.018 flat angles C4'-P-C4' energy: -88.144 flat angles P-C4'-P energy: -41.613 tors. eta vs tors. theta energy: -84.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -936.848228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.848228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.848228 (E_RNA) where: Base-Base interactions energy: -577.470 where: short stacking energy: -276.821 Base-Backbone interact. energy: -1.885 local terms energy: -357.492462 where: bonds (distance) C4'-P energy: -71.570 bonds (distance) P-C4' energy: -77.669 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -64.757 tors. eta vs tors. theta energy: -49.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -633.609378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.609378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.609378 (E_RNA) where: Base-Base interactions energy: -341.251 where: short stacking energy: -172.514 Base-Backbone interact. energy: -1.931 local terms energy: -290.426529 where: bonds (distance) C4'-P energy: -58.150 bonds (distance) P-C4' energy: -89.328 flat angles C4'-P-C4' energy: -83.131 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -16.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -544.335667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.335667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.335667 (E_RNA) where: Base-Base interactions energy: -260.745 where: short stacking energy: -161.186 Base-Backbone interact. energy: -0.411 local terms energy: -283.179275 where: bonds (distance) C4'-P energy: -72.857 bonds (distance) P-C4' energy: -92.776 flat angles C4'-P-C4' energy: -60.929 flat angles P-C4'-P energy: -42.641 tors. eta vs tors. theta energy: -13.977 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: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -378.085550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.085550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.085550 (E_RNA) where: Base-Base interactions energy: -130.946 where: short stacking energy: -112.213 Base-Backbone interact. energy: -1.790 local terms energy: -245.348907 where: bonds (distance) C4'-P energy: -67.193 bonds (distance) P-C4' energy: -72.248 flat angles C4'-P-C4' energy: -58.695 flat angles P-C4'-P energy: -49.041 tors. eta vs tors. theta energy: 1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1536.364399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.364399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.364399 (E_RNA) where: Base-Base interactions energy: -1040.668 where: short stacking energy: -431.626 Base-Backbone interact. energy: -1.715 local terms energy: -493.981864 where: bonds (distance) C4'-P energy: -97.550 bonds (distance) P-C4' energy: -90.672 flat angles C4'-P-C4' energy: -111.199 flat angles P-C4'-P energy: -73.973 tors. eta vs tors. theta energy: -120.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1501.661283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.661283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.661283 (E_RNA) where: Base-Base interactions energy: -1036.762 where: short stacking energy: -443.165 Base-Backbone interact. energy: -3.502 local terms energy: -461.397102 where: bonds (distance) C4'-P energy: -86.452 bonds (distance) P-C4' energy: -91.316 flat angles C4'-P-C4' energy: -97.662 flat angles P-C4'-P energy: -58.828 tors. eta vs tors. theta energy: -127.139 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: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1359.697514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.697514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.697514 (E_RNA) where: Base-Base interactions energy: -904.405 where: short stacking energy: -411.567 Base-Backbone interact. energy: -1.866 local terms energy: -453.426660 where: bonds (distance) C4'-P energy: -80.954 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -95.889 flat angles P-C4'-P energy: -60.261 tors. eta vs tors. theta energy: -121.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1257.753776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.753776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.753776 (E_RNA) where: Base-Base interactions energy: -843.136 where: short stacking energy: -411.743 Base-Backbone interact. energy: -2.754 local terms energy: -411.863407 where: bonds (distance) C4'-P energy: -70.571 bonds (distance) P-C4' energy: -94.198 flat angles C4'-P-C4' energy: -83.647 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -109.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1122.913466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.913466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.913466 (E_RNA) where: Base-Base interactions energy: -713.702 where: short stacking energy: -336.933 Base-Backbone interact. energy: -0.339 local terms energy: -408.871782 where: bonds (distance) C4'-P energy: -85.252 bonds (distance) P-C4' energy: -85.777 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -67.471 tors. eta vs tors. theta energy: -77.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1078.035214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.035214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.035214 (E_RNA) where: Base-Base interactions energy: -703.443 where: short stacking energy: -328.368 Base-Backbone interact. energy: -3.251 local terms energy: -371.341290 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -73.969 flat angles C4'-P-C4' energy: -87.682 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: -79.182 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: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -938.639844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.639844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.639844 (E_RNA) where: Base-Base interactions energy: -570.149 where: short stacking energy: -268.786 Base-Backbone interact. energy: -1.477 local terms energy: -367.014295 where: bonds (distance) C4'-P energy: -87.650 bonds (distance) P-C4' energy: -84.899 flat angles C4'-P-C4' energy: -86.005 flat angles P-C4'-P energy: -61.055 tors. eta vs tors. theta energy: -47.405 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: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -672.610273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.610273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.610273 (E_RNA) where: Base-Base interactions energy: -365.949 where: short stacking energy: -196.377 Base-Backbone interact. energy: -2.013 local terms energy: -304.649131 where: bonds (distance) C4'-P energy: -75.023 bonds (distance) P-C4' energy: -95.515 flat angles C4'-P-C4' energy: -63.478 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: -22.990 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: 454 Temperature: 1.300000 Total energy: -518.859276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.859276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.859276 (E_RNA) where: Base-Base interactions energy: -244.362 where: short stacking energy: -156.999 Base-Backbone interact. energy: 6.489 local terms energy: -280.986341 where: bonds (distance) C4'-P energy: -68.971 bonds (distance) P-C4' energy: -85.024 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: -8.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -389.999477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.999477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.999477 (E_RNA) where: Base-Base interactions energy: -143.797 where: short stacking energy: -107.616 Base-Backbone interact. energy: -0.249 local terms energy: -245.953522 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -88.482 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -39.265 tors. eta vs tors. theta energy: 23.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1568.160367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.160367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.160367 (E_RNA) where: Base-Base interactions energy: -1063.178 where: short stacking energy: -456.233 Base-Backbone interact. energy: -1.586 local terms energy: -503.395940 where: bonds (distance) C4'-P energy: -91.895 bonds (distance) P-C4' energy: -91.597 flat angles C4'-P-C4' energy: -109.687 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -137.699 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: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1498.967195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.967195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.967195 (E_RNA) where: Base-Base interactions energy: -1028.979 where: short stacking energy: -443.261 Base-Backbone interact. energy: 3.136 local terms energy: -473.123649 where: bonds (distance) C4'-P energy: -85.727 bonds (distance) P-C4' energy: -91.120 flat angles C4'-P-C4' energy: -108.101 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -121.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1393.126540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.126540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.126540 (E_RNA) where: Base-Base interactions energy: -946.486 where: short stacking energy: -414.316 Base-Backbone interact. energy: -1.762 local terms energy: -444.878517 where: bonds (distance) C4'-P energy: -78.135 bonds (distance) P-C4' energy: -81.286 flat angles C4'-P-C4' energy: -103.054 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: -114.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1263.997345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.997345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.997345 (E_RNA) where: Base-Base interactions energy: -834.385 where: short stacking energy: -404.113 Base-Backbone interact. energy: -0.924 local terms energy: -428.687836 where: bonds (distance) C4'-P energy: -82.752 bonds (distance) P-C4' energy: -87.041 flat angles C4'-P-C4' energy: -80.985 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -111.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1133.805661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.805661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.805661 (E_RNA) where: Base-Base interactions energy: -746.155 where: short stacking energy: -337.823 Base-Backbone interact. energy: -1.192 local terms energy: -386.458233 where: bonds (distance) C4'-P energy: -81.477 bonds (distance) P-C4' energy: -86.390 flat angles C4'-P-C4' energy: -86.586 flat angles P-C4'-P energy: -50.381 tors. eta vs tors. theta energy: -81.625 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: 455 Temperature: 1.150000 Total energy: -1062.723112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.723112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.723112 (E_RNA) where: Base-Base interactions energy: -683.332 where: short stacking energy: -330.873 Base-Backbone interact. energy: -0.409 local terms energy: -378.981639 where: bonds (distance) C4'-P energy: -77.191 bonds (distance) P-C4' energy: -92.892 flat angles C4'-P-C4' energy: -88.913 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -67.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -883.173973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.173973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.173973 (E_RNA) where: Base-Base interactions energy: -547.499 where: short stacking energy: -243.604 Base-Backbone interact. energy: -0.838 local terms energy: -334.836893 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -88.360 flat angles C4'-P-C4' energy: -77.071 flat angles P-C4'-P energy: -60.194 tors. eta vs tors. theta energy: -43.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -634.329744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.329744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.329744 (E_RNA) where: Base-Base interactions energy: -353.577 where: short stacking energy: -191.041 Base-Backbone interact. energy: 0.761 local terms energy: -281.514110 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -79.500 flat angles C4'-P-C4' energy: -63.201 flat angles P-C4'-P energy: -49.036 tors. eta vs tors. theta energy: -14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -533.033740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.033740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.033740 (E_RNA) where: Base-Base interactions energy: -257.416 where: short stacking energy: -145.184 Base-Backbone interact. energy: 2.556 local terms energy: -278.173316 where: bonds (distance) C4'-P energy: -89.903 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: 10.807 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: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -421.143837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.143837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.143837 (E_RNA) where: Base-Base interactions energy: -159.627 where: short stacking energy: -102.234 Base-Backbone interact. energy: 2.709 local terms energy: -264.225680 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -83.374 flat angles C4'-P-C4' energy: -86.624 flat angles P-C4'-P energy: -30.535 tors. eta vs tors. theta energy: 7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1550.479010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.479010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.479010 (E_RNA) where: Base-Base interactions energy: -1047.511 where: short stacking energy: -460.502 Base-Backbone interact. energy: -3.632 local terms energy: -499.336631 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -97.783 flat angles C4'-P-C4' energy: -110.567 flat angles P-C4'-P energy: -65.448 tors. eta vs tors. theta energy: -138.257 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: 456 Temperature: 0.950000 Total energy: -1501.596547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.596547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.596547 (E_RNA) where: Base-Base interactions energy: -1004.846 where: short stacking energy: -446.937 Base-Backbone interact. energy: -0.639 local terms energy: -496.111721 where: bonds (distance) C4'-P energy: -96.049 bonds (distance) P-C4' energy: -96.746 flat angles C4'-P-C4' energy: -105.512 flat angles P-C4'-P energy: -64.106 tors. eta vs tors. theta energy: -133.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1387.520250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.520250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.520250 (E_RNA) where: Base-Base interactions energy: -911.518 where: short stacking energy: -431.664 Base-Backbone interact. energy: -1.955 local terms energy: -474.047192 where: bonds (distance) C4'-P energy: -98.662 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -91.281 flat angles P-C4'-P energy: -53.518 tors. eta vs tors. theta energy: -128.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1236.260841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.260841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.260841 (E_RNA) where: Base-Base interactions energy: -798.127 where: short stacking energy: -373.434 Base-Backbone interact. energy: 0.120 local terms energy: -438.254181 where: bonds (distance) C4'-P energy: -81.551 bonds (distance) P-C4' energy: -93.160 flat angles C4'-P-C4' energy: -97.335 flat angles P-C4'-P energy: -64.995 tors. eta vs tors. theta energy: -101.213 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: 5, replica: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1181.364065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.364065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.364065 (E_RNA) where: Base-Base interactions energy: -757.126 where: short stacking energy: -374.465 Base-Backbone interact. energy: 0.204 local terms energy: -424.441998 where: bonds (distance) C4'-P energy: -79.054 bonds (distance) P-C4' energy: -88.106 flat angles C4'-P-C4' energy: -97.549 flat angles P-C4'-P energy: -60.759 tors. eta vs tors. theta energy: -98.974 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: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1125.593061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.593061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.593061 (E_RNA) where: Base-Base interactions energy: -723.900 where: short stacking energy: -312.642 Base-Backbone interact. energy: 0.753 local terms energy: -402.445722 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -90.800 flat angles C4'-P-C4' energy: -93.847 flat angles P-C4'-P energy: -60.401 tors. eta vs tors. theta energy: -73.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -898.929353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.929353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.929353 (E_RNA) where: Base-Base interactions energy: -549.645 where: short stacking energy: -279.995 Base-Backbone interact. energy: -1.216 local terms energy: -348.067584 where: bonds (distance) C4'-P energy: -76.199 bonds (distance) P-C4' energy: -84.023 flat angles C4'-P-C4' energy: -85.476 flat angles P-C4'-P energy: -50.033 tors. eta vs tors. theta energy: -52.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -669.541408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.541408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.541408 (E_RNA) where: Base-Base interactions energy: -363.559 where: short stacking energy: -191.850 Base-Backbone interact. energy: 7.072 local terms energy: -313.053898 where: bonds (distance) C4'-P energy: -63.102 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -74.987 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -23.822 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: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -544.042628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.042628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.042628 (E_RNA) where: Base-Base interactions energy: -275.245 where: short stacking energy: -158.941 Base-Backbone interact. energy: 1.871 local terms energy: -270.668925 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -83.473 flat angles C4'-P-C4' energy: -58.498 flat angles P-C4'-P energy: -54.575 tors. eta vs tors. theta energy: 6.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -386.589768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.589768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.589768 (E_RNA) where: Base-Base interactions energy: -147.585 where: short stacking energy: -127.725 Base-Backbone interact. energy: 1.388 local terms energy: -240.392508 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -84.549 flat angles C4'-P-C4' energy: -69.237 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: 19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1541.242255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.242255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.242255 (E_RNA) where: Base-Base interactions energy: -1048.272 where: short stacking energy: -456.490 Base-Backbone interact. energy: -0.398 local terms energy: -492.571349 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -95.621 flat angles C4'-P-C4' energy: -96.513 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -130.302 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: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1529.102309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.102309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.102309 (E_RNA) where: Base-Base interactions energy: -1035.164 where: short stacking energy: -467.527 Base-Backbone interact. energy: -5.520 local terms energy: -488.417690 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -90.586 flat angles C4'-P-C4' energy: -114.307 flat angles P-C4'-P energy: -51.946 tors. eta vs tors. theta energy: -139.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1362.898433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.898433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.898433 (E_RNA) where: Base-Base interactions energy: -887.640 where: short stacking energy: -401.965 Base-Backbone interact. energy: -2.412 local terms energy: -472.846365 where: bonds (distance) C4'-P energy: -85.357 bonds (distance) P-C4' energy: -97.413 flat angles C4'-P-C4' energy: -112.102 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: -112.066 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: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1250.378731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.378731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.378731 (E_RNA) where: Base-Base interactions energy: -816.134 where: short stacking energy: -390.813 Base-Backbone interact. energy: -1.481 local terms energy: -432.764029 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -91.444 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -108.063 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: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1106.381772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.381772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.381772 (E_RNA) where: Base-Base interactions energy: -684.478 where: short stacking energy: -339.355 Base-Backbone interact. energy: -2.172 local terms energy: -419.731807 where: bonds (distance) C4'-P energy: -89.585 bonds (distance) P-C4' energy: -96.544 flat angles C4'-P-C4' energy: -87.618 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -92.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1123.957536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.957536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.957536 (E_RNA) where: Base-Base interactions energy: -722.763 where: short stacking energy: -326.608 Base-Backbone interact. energy: -3.427 local terms energy: -397.767703 where: bonds (distance) C4'-P energy: -71.165 bonds (distance) P-C4' energy: -90.719 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -62.407 tors. eta vs tors. theta energy: -85.123 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: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -906.677751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.677751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.677751 (E_RNA) where: Base-Base interactions energy: -559.592 where: short stacking energy: -258.108 Base-Backbone interact. energy: -2.390 local terms energy: -344.696113 where: bonds (distance) C4'-P energy: -83.257 bonds (distance) P-C4' energy: -74.700 flat angles C4'-P-C4' energy: -83.907 flat angles P-C4'-P energy: -57.336 tors. eta vs tors. theta energy: -45.496 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: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -701.439163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.439163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.439163 (E_RNA) where: Base-Base interactions energy: -403.456 where: short stacking energy: -213.216 Base-Backbone interact. energy: -0.504 local terms energy: -297.479936 where: bonds (distance) C4'-P energy: -80.014 bonds (distance) P-C4' energy: -78.735 flat angles C4'-P-C4' energy: -77.852 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -16.473 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: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -529.322330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.322330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.322330 (E_RNA) where: Base-Base interactions energy: -247.310 where: short stacking energy: -151.337 Base-Backbone interact. energy: -0.319 local terms energy: -281.693818 where: bonds (distance) C4'-P energy: -81.203 bonds (distance) P-C4' energy: -73.882 flat angles C4'-P-C4' energy: -86.069 flat angles P-C4'-P energy: -37.060 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -374.143199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.143199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.143199 (E_RNA) where: Base-Base interactions energy: -145.708 where: short stacking energy: -121.880 Base-Backbone interact. energy: 1.665 local terms energy: -230.099609 where: bonds (distance) C4'-P energy: -70.108 bonds (distance) P-C4' energy: -80.677 flat angles C4'-P-C4' energy: -59.887 flat angles P-C4'-P energy: -27.917 tors. eta vs tors. theta energy: 8.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1544.395128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.395128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.395128 (E_RNA) where: Base-Base interactions energy: -1034.912 where: short stacking energy: -445.095 Base-Backbone interact. energy: -5.659 local terms energy: -503.823471 where: bonds (distance) C4'-P energy: -102.147 bonds (distance) P-C4' energy: -94.394 flat angles C4'-P-C4' energy: -101.418 flat angles P-C4'-P energy: -73.570 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: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1507.827993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.827993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.827993 (E_RNA) where: Base-Base interactions energy: -1025.985 where: short stacking energy: -456.123 Base-Backbone interact. energy: -3.061 local terms energy: -478.782029 where: bonds (distance) C4'-P energy: -86.764 bonds (distance) P-C4' energy: -99.304 flat angles C4'-P-C4' energy: -107.908 flat angles P-C4'-P energy: -53.637 tors. eta vs tors. theta energy: -131.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1387.266135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.266135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.266135 (E_RNA) where: Base-Base interactions energy: -920.943 where: short stacking energy: -422.381 Base-Backbone interact. energy: -1.438 local terms energy: -464.884251 where: bonds (distance) C4'-P energy: -89.077 bonds (distance) P-C4' energy: -85.255 flat angles C4'-P-C4' energy: -106.287 flat angles P-C4'-P energy: -63.004 tors. eta vs tors. theta energy: -121.262 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: 458 Temperature: 1.050000 Total energy: -1261.183635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.183635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.183635 (E_RNA) where: Base-Base interactions energy: -789.934 where: short stacking energy: -374.226 Base-Backbone interact. energy: -4.085 local terms energy: -467.164794 where: bonds (distance) C4'-P energy: -93.449 bonds (distance) P-C4' energy: -97.391 flat angles C4'-P-C4' energy: -108.275 flat angles P-C4'-P energy: -61.622 tors. eta vs tors. theta energy: -106.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1114.839008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.839008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.839008 (E_RNA) where: Base-Base interactions energy: -697.502 where: short stacking energy: -344.143 Base-Backbone interact. energy: -1.976 local terms energy: -415.361361 where: bonds (distance) C4'-P energy: -89.499 bonds (distance) P-C4' energy: -90.977 flat angles C4'-P-C4' energy: -84.048 flat angles P-C4'-P energy: -60.805 tors. eta vs tors. theta energy: -90.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1077.172575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.172575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.172575 (E_RNA) where: Base-Base interactions energy: -691.005 where: short stacking energy: -346.539 Base-Backbone interact. energy: 0.901 local terms energy: -387.068955 where: bonds (distance) C4'-P energy: -68.587 bonds (distance) P-C4' energy: -87.155 flat angles C4'-P-C4' energy: -82.208 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -85.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -887.676459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.676459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.676459 (E_RNA) where: Base-Base interactions energy: -530.076 where: short stacking energy: -248.637 Base-Backbone interact. energy: 0.623 local terms energy: -358.223437 where: bonds (distance) C4'-P energy: -84.222 bonds (distance) P-C4' energy: -95.703 flat angles C4'-P-C4' energy: -83.848 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -46.017 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: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -714.517601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.517601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.517601 (E_RNA) where: Base-Base interactions energy: -410.828 where: short stacking energy: -208.098 Base-Backbone interact. energy: -1.207 local terms energy: -302.483360 where: bonds (distance) C4'-P energy: -69.991 bonds (distance) P-C4' energy: -86.903 flat angles C4'-P-C4' energy: -78.554 flat angles P-C4'-P energy: -44.370 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: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -521.039884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.039884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.039884 (E_RNA) where: Base-Base interactions energy: -236.832 where: short stacking energy: -147.197 Base-Backbone interact. energy: -2.327 local terms energy: -281.880595 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -76.279 flat angles C4'-P-C4' energy: -88.788 flat angles P-C4'-P energy: -49.777 tors. eta vs tors. theta energy: 2.632 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: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -374.691523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.691523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.691523 (E_RNA) where: Base-Base interactions energy: -142.665 where: short stacking energy: -112.872 Base-Backbone interact. energy: 11.593 local terms energy: -243.619151 where: bonds (distance) C4'-P energy: -67.587 bonds (distance) P-C4' energy: -82.776 flat angles C4'-P-C4' energy: -66.125 flat angles P-C4'-P energy: -28.902 tors. eta vs tors. theta energy: 1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1565.672718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.672718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.672718 (E_RNA) where: Base-Base interactions energy: -1051.883 where: short stacking energy: -475.661 Base-Backbone interact. energy: -5.294 local terms energy: -508.495850 where: bonds (distance) C4'-P energy: -97.910 bonds (distance) P-C4' energy: -104.480 flat angles C4'-P-C4' energy: -103.384 flat angles P-C4'-P energy: -64.383 tors. eta vs tors. theta energy: -138.339 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: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1487.506394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.506394 (E_RNA) where: Base-Base interactions energy: -1024.552 where: short stacking energy: -444.505 Base-Backbone interact. energy: -1.840 local terms energy: -461.114978 where: bonds (distance) C4'-P energy: -85.843 bonds (distance) P-C4' energy: -76.768 flat angles C4'-P-C4' energy: -109.221 flat angles P-C4'-P energy: -62.978 tors. eta vs tors. theta energy: -126.304 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: 3, replica: 6 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1381.318208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.318208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.318208 (E_RNA) where: Base-Base interactions energy: -895.247 where: short stacking energy: -435.547 Base-Backbone interact. energy: -2.550 local terms energy: -483.521504 where: bonds (distance) C4'-P energy: -92.630 bonds (distance) P-C4' energy: -85.456 flat angles C4'-P-C4' energy: -99.929 flat angles P-C4'-P energy: -77.064 tors. eta vs tors. theta energy: -128.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1274.458200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.458200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.458200 (E_RNA) where: Base-Base interactions energy: -826.998 where: short stacking energy: -393.919 Base-Backbone interact. energy: -1.624 local terms energy: -445.836484 where: bonds (distance) C4'-P energy: -82.915 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -109.100 flat angles P-C4'-P energy: -64.331 tors. eta vs tors. theta energy: -106.770 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: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1108.737115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.737115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.737115 (E_RNA) where: Base-Base interactions energy: -686.924 where: short stacking energy: -339.071 Base-Backbone interact. energy: -2.219 local terms energy: -419.594288 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -96.966 flat angles C4'-P-C4' energy: -90.622 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -100.268 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: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1062.932133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.932133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.932133 (E_RNA) where: Base-Base interactions energy: -673.900 where: short stacking energy: -321.414 Base-Backbone interact. energy: -0.421 local terms energy: -388.610334 where: bonds (distance) C4'-P energy: -83.709 bonds (distance) P-C4' energy: -87.228 flat angles C4'-P-C4' energy: -81.318 flat angles P-C4'-P energy: -58.034 tors. eta vs tors. theta energy: -78.322 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: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -865.620484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.620484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.620484 (E_RNA) where: Base-Base interactions energy: -511.839 where: short stacking energy: -242.345 Base-Backbone interact. energy: 1.917 local terms energy: -355.698376 where: bonds (distance) C4'-P energy: -90.453 bonds (distance) P-C4' energy: -88.292 flat angles C4'-P-C4' energy: -85.641 flat angles P-C4'-P energy: -57.778 tors. eta vs tors. theta energy: -33.535 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: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -694.573611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.573611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.573611 (E_RNA) where: Base-Base interactions energy: -377.153 where: short stacking energy: -185.000 Base-Backbone interact. energy: -2.065 local terms energy: -315.355381 where: bonds (distance) C4'-P energy: -95.854 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -71.776 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -11.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -532.560516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.560516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.560516 (E_RNA) where: Base-Base interactions energy: -254.344 where: short stacking energy: -148.060 Base-Backbone interact. energy: -4.287 local terms energy: -273.930140 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -80.060 flat angles C4'-P-C4' energy: -80.161 flat angles P-C4'-P energy: -33.663 tors. eta vs tors. theta energy: 3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -372.733428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.733428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.733428 (E_RNA) where: Base-Base interactions energy: -117.756 where: short stacking energy: -105.398 Base-Backbone interact. energy: -1.129 local terms energy: -253.847748 where: bonds (distance) C4'-P energy: -70.419 bonds (distance) P-C4' energy: -84.868 flat angles C4'-P-C4' energy: -71.788 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: 14.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1538.159398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.159398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.159398 (E_RNA) where: Base-Base interactions energy: -1043.012 where: short stacking energy: -452.452 Base-Backbone interact. energy: -1.148 local terms energy: -494.000128 where: bonds (distance) C4'-P energy: -94.822 bonds (distance) P-C4' energy: -98.842 flat angles C4'-P-C4' energy: -103.020 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -130.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1483.258914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.258914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.258914 (E_RNA) where: Base-Base interactions energy: -1022.394 where: short stacking energy: -443.910 Base-Backbone interact. energy: -1.775 local terms energy: -459.090222 where: bonds (distance) C4'-P energy: -85.746 bonds (distance) P-C4' energy: -86.939 flat angles C4'-P-C4' energy: -98.346 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -126.834 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: 460 Temperature: 1.000000 Total energy: -1361.341710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.341710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.341710 (E_RNA) where: Base-Base interactions energy: -884.727 where: short stacking energy: -422.106 Base-Backbone interact. energy: -2.222 local terms energy: -474.392814 where: bonds (distance) C4'-P energy: -86.039 bonds (distance) P-C4' energy: -92.031 flat angles C4'-P-C4' energy: -101.886 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -115.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1267.799837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.799837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.799837 (E_RNA) where: Base-Base interactions energy: -810.599 where: short stacking energy: -380.494 Base-Backbone interact. energy: -0.442 local terms energy: -456.758581 where: bonds (distance) C4'-P energy: -89.663 bonds (distance) P-C4' energy: -89.172 flat angles C4'-P-C4' energy: -95.098 flat angles P-C4'-P energy: -74.007 tors. eta vs tors. theta energy: -108.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1112.856704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.856704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.856704 (E_RNA) where: Base-Base interactions energy: -705.896 where: short stacking energy: -353.897 Base-Backbone interact. energy: -0.536 local terms energy: -406.423969 where: bonds (distance) C4'-P energy: -79.391 bonds (distance) P-C4' energy: -86.484 flat angles C4'-P-C4' energy: -100.961 flat angles P-C4'-P energy: -46.420 tors. eta vs tors. theta energy: -93.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1060.047196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.047196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.047196 (E_RNA) where: Base-Base interactions energy: -679.863 where: short stacking energy: -297.546 Base-Backbone interact. energy: -0.723 local terms energy: -379.461738 where: bonds (distance) C4'-P energy: -81.625 bonds (distance) P-C4' energy: -90.583 flat angles C4'-P-C4' energy: -94.959 flat angles P-C4'-P energy: -45.476 tors. eta vs tors. theta energy: -66.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -885.468194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.468194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.468194 (E_RNA) where: Base-Base interactions energy: -536.777 where: short stacking energy: -275.551 Base-Backbone interact. energy: 0.734 local terms energy: -349.425195 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -86.958 flat angles C4'-P-C4' energy: -59.355 flat angles P-C4'-P energy: -58.370 tors. eta vs tors. theta energy: -62.566 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: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -695.126787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.126787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.126787 (E_RNA) where: Base-Base interactions energy: -381.759 where: short stacking energy: -192.952 Base-Backbone interact. energy: 4.610 local terms energy: -317.977899 where: bonds (distance) C4'-P energy: -79.834 bonds (distance) P-C4' energy: -77.545 flat angles C4'-P-C4' energy: -94.819 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -23.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -518.716772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.716772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.716772 (E_RNA) where: Base-Base interactions energy: -247.029 where: short stacking energy: -129.451 Base-Backbone interact. energy: -0.712 local terms energy: -270.975958 where: bonds (distance) C4'-P energy: -76.910 bonds (distance) P-C4' energy: -88.584 flat angles C4'-P-C4' energy: -77.076 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: 13.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -370.368901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.368901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.368901 (E_RNA) where: Base-Base interactions energy: -112.757 where: short stacking energy: -68.995 Base-Backbone interact. energy: 1.328 local terms energy: -258.940128 where: bonds (distance) C4'-P energy: -85.505 bonds (distance) P-C4' energy: -98.361 flat angles C4'-P-C4' energy: -62.887 flat angles P-C4'-P energy: -42.220 tors. eta vs tors. theta energy: 30.033 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: 461 Temperature: 0.900000 Total energy: -1552.008525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.008525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.008525 (E_RNA) where: Base-Base interactions energy: -1047.030 where: short stacking energy: -456.003 Base-Backbone interact. energy: -2.921 local terms energy: -502.057003 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -83.937 flat angles C4'-P-C4' energy: -112.763 flat angles P-C4'-P energy: -72.400 tors. eta vs tors. theta energy: -138.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1472.821632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.821632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.821632 (E_RNA) where: Base-Base interactions energy: -984.639 where: short stacking energy: -417.189 Base-Backbone interact. energy: -3.250 local terms energy: -484.932397 where: bonds (distance) C4'-P energy: -92.302 bonds (distance) P-C4' energy: -91.325 flat angles C4'-P-C4' energy: -101.605 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -120.711 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1349.365261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.365261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.365261 (E_RNA) where: Base-Base interactions energy: -886.905 where: short stacking energy: -385.000 Base-Backbone interact. energy: -2.321 local terms energy: -460.138773 where: bonds (distance) C4'-P energy: -81.861 bonds (distance) P-C4' energy: -87.699 flat angles C4'-P-C4' energy: -102.647 flat angles P-C4'-P energy: -76.112 tors. eta vs tors. theta energy: -111.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1245.292092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.292092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.292092 (E_RNA) where: Base-Base interactions energy: -821.419 where: short stacking energy: -381.898 Base-Backbone interact. energy: -3.111 local terms energy: -420.761786 where: bonds (distance) C4'-P energy: -83.577 bonds (distance) P-C4' energy: -86.138 flat angles C4'-P-C4' energy: -79.655 flat angles P-C4'-P energy: -58.972 tors. eta vs tors. theta energy: -112.420 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: 9 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1134.037080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.037080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.037080 (E_RNA) where: Base-Base interactions energy: -710.110 where: short stacking energy: -348.682 Base-Backbone interact. energy: -0.716 local terms energy: -423.211194 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -97.430 flat angles C4'-P-C4' energy: -109.723 flat angles P-C4'-P energy: -56.661 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1025.072894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.072894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.072894 (E_RNA) where: Base-Base interactions energy: -659.308 where: short stacking energy: -297.683 Base-Backbone interact. energy: -3.383 local terms energy: -362.381876 where: bonds (distance) C4'-P energy: -76.417 bonds (distance) P-C4' energy: -93.778 flat angles C4'-P-C4' energy: -84.065 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -64.548 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: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -884.707365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.707365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.707365 (E_RNA) where: Base-Base interactions energy: -519.893 where: short stacking energy: -250.411 Base-Backbone interact. energy: -1.339 local terms energy: -363.475851 where: bonds (distance) C4'-P energy: -81.531 bonds (distance) P-C4' energy: -86.492 flat angles C4'-P-C4' energy: -94.490 flat angles P-C4'-P energy: -53.809 tors. eta vs tors. theta energy: -47.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -643.224861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.224861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.224861 (E_RNA) where: Base-Base interactions energy: -322.632 where: short stacking energy: -185.045 Base-Backbone interact. energy: 0.970 local terms energy: -321.563270 where: bonds (distance) C4'-P energy: -84.349 bonds (distance) P-C4' energy: -92.784 flat angles C4'-P-C4' energy: -76.397 flat angles P-C4'-P energy: -42.296 tors. eta vs tors. theta energy: -25.738 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: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -535.875235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.875235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.875235 (E_RNA) where: Base-Base interactions energy: -272.002 where: short stacking energy: -153.563 Base-Backbone interact. energy: -1.908 local terms energy: -261.965128 where: bonds (distance) C4'-P energy: -76.916 bonds (distance) P-C4' energy: -78.645 flat angles C4'-P-C4' energy: -72.233 flat angles P-C4'-P energy: -34.764 tors. eta vs tors. theta energy: 0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -373.533738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.533738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.533738 (E_RNA) where: Base-Base interactions energy: -132.579 where: short stacking energy: -83.101 Base-Backbone interact. energy: -0.046 local terms energy: -240.908575 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -78.512 flat angles C4'-P-C4' energy: -55.582 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: 8.711 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: 462 Temperature: 0.900000 Total energy: -1541.214096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.214096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.214096 (E_RNA) where: Base-Base interactions energy: -1024.376 where: short stacking energy: -450.292 Base-Backbone interact. energy: -1.651 local terms energy: -515.187524 where: bonds (distance) C4'-P energy: -94.094 bonds (distance) P-C4' energy: -103.298 flat angles C4'-P-C4' energy: -109.035 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -139.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1471.826109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.826109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.826109 (E_RNA) where: Base-Base interactions energy: -974.601 where: short stacking energy: -434.649 Base-Backbone interact. energy: -1.974 local terms energy: -495.251145 where: bonds (distance) C4'-P energy: -92.325 bonds (distance) P-C4' energy: -88.474 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -77.541 tors. eta vs tors. theta energy: -128.078 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: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1368.559775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.559775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.559775 (E_RNA) where: Base-Base interactions energy: -886.293 where: short stacking energy: -403.041 Base-Backbone interact. energy: -0.669 local terms energy: -481.598140 where: bonds (distance) C4'-P energy: -89.307 bonds (distance) P-C4' energy: -95.269 flat angles C4'-P-C4' energy: -99.718 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -122.551 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: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1289.046640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.046640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.046640 (E_RNA) where: Base-Base interactions energy: -849.156 where: short stacking energy: -401.014 Base-Backbone interact. energy: -1.755 local terms energy: -438.135831 where: bonds (distance) C4'-P energy: -67.876 bonds (distance) P-C4' energy: -83.789 flat angles C4'-P-C4' energy: -103.897 flat angles P-C4'-P energy: -65.850 tors. eta vs tors. theta energy: -116.724 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: 5, replica: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1085.885210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.885210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.885210 (E_RNA) where: Base-Base interactions energy: -680.170 where: short stacking energy: -331.391 Base-Backbone interact. energy: -2.566 local terms energy: -403.149336 where: bonds (distance) C4'-P energy: -84.982 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -78.068 flat angles P-C4'-P energy: -67.645 tors. eta vs tors. theta energy: -83.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1028.080194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.080194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.080194 (E_RNA) where: Base-Base interactions energy: -631.295 where: short stacking energy: -306.256 Base-Backbone interact. energy: 1.000 local terms energy: -397.785130 where: bonds (distance) C4'-P energy: -88.184 bonds (distance) P-C4' energy: -88.518 flat angles C4'-P-C4' energy: -90.208 flat angles P-C4'-P energy: -57.342 tors. eta vs tors. theta energy: -73.533 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: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -845.649172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.649172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.649172 (E_RNA) where: Base-Base interactions energy: -498.203 where: short stacking energy: -239.844 Base-Backbone interact. energy: 2.321 local terms energy: -349.767008 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -100.152 flat angles C4'-P-C4' energy: -81.017 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -30.948 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: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -624.261539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.261539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.261539 (E_RNA) where: Base-Base interactions energy: -336.600 where: short stacking energy: -195.116 Base-Backbone interact. energy: 0.505 local terms energy: -288.166529 where: bonds (distance) C4'-P energy: -81.482 bonds (distance) P-C4' energy: -69.808 flat angles C4'-P-C4' energy: -76.468 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -557.206990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.206990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.206990 (E_RNA) where: Base-Base interactions energy: -268.697 where: short stacking energy: -154.052 Base-Backbone interact. energy: 1.665 local terms energy: -290.175538 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -90.005 flat angles C4'-P-C4' energy: -71.410 flat angles P-C4'-P energy: -40.863 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -374.139383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.139383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.139383 (E_RNA) where: Base-Base interactions energy: -106.810 where: short stacking energy: -96.012 Base-Backbone interact. energy: -1.001 local terms energy: -266.328268 where: bonds (distance) C4'-P energy: -80.113 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -70.681 flat angles P-C4'-P energy: -26.046 tors. eta vs tors. theta energy: 2.129 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: 463 Temperature: 0.900000 Total energy: -1546.349436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.349436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.349436 (E_RNA) where: Base-Base interactions energy: -1057.364 where: short stacking energy: -459.295 Base-Backbone interact. energy: -2.683 local terms energy: -486.302775 where: bonds (distance) C4'-P energy: -94.908 bonds (distance) P-C4' energy: -85.144 flat angles C4'-P-C4' energy: -101.628 flat angles P-C4'-P energy: -71.018 tors. eta vs tors. theta energy: -133.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1475.244775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.244775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.244775 (E_RNA) where: Base-Base interactions energy: -987.282 where: short stacking energy: -428.202 Base-Backbone interact. energy: -1.471 local terms energy: -486.491593 where: bonds (distance) C4'-P energy: -84.673 bonds (distance) P-C4' energy: -100.524 flat angles C4'-P-C4' energy: -103.451 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -124.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1374.416769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.416769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.416769 (E_RNA) where: Base-Base interactions energy: -889.186 where: short stacking energy: -395.131 Base-Backbone interact. energy: -0.419 local terms energy: -484.812601 where: bonds (distance) C4'-P energy: -78.874 bonds (distance) P-C4' energy: -92.590 flat angles C4'-P-C4' energy: -110.312 flat angles P-C4'-P energy: -79.880 tors. eta vs tors. theta energy: -123.156 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: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1310.031380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.031380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.031380 (E_RNA) where: Base-Base interactions energy: -871.706 where: short stacking energy: -423.275 Base-Backbone interact. energy: -1.995 local terms energy: -436.330353 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -81.087 flat angles C4'-P-C4' energy: -100.209 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -122.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1133.502125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.502125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.502125 (E_RNA) where: Base-Base interactions energy: -722.386 where: short stacking energy: -339.118 Base-Backbone interact. energy: -2.274 local terms energy: -408.842245 where: bonds (distance) C4'-P energy: -65.140 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -95.392 flat angles P-C4'-P energy: -57.084 tors. eta vs tors. theta energy: -97.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1035.177922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.177922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.177922 (E_RNA) where: Base-Base interactions energy: -636.694 where: short stacking energy: -294.523 Base-Backbone interact. energy: -2.724 local terms energy: -395.759363 where: bonds (distance) C4'-P energy: -87.922 bonds (distance) P-C4' energy: -87.022 flat angles C4'-P-C4' energy: -86.175 flat angles P-C4'-P energy: -57.284 tors. eta vs tors. theta energy: -77.357 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: 10 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -845.737903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.737903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.737903 (E_RNA) where: Base-Base interactions energy: -507.252 where: short stacking energy: -245.105 Base-Backbone interact. energy: -0.603 local terms energy: -337.882830 where: bonds (distance) C4'-P energy: -93.622 bonds (distance) P-C4' energy: -78.962 flat angles C4'-P-C4' energy: -72.567 flat angles P-C4'-P energy: -61.873 tors. eta vs tors. theta energy: -30.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -577.217262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.217262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.217262 (E_RNA) where: Base-Base interactions energy: -311.737 where: short stacking energy: -165.901 Base-Backbone interact. energy: -1.568 local terms energy: -263.912134 where: bonds (distance) C4'-P energy: -82.233 bonds (distance) P-C4' energy: -94.437 flat angles C4'-P-C4' energy: -50.241 flat angles P-C4'-P energy: -35.856 tors. eta vs tors. theta energy: -1.144 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: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -539.483361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.483361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.483361 (E_RNA) where: Base-Base interactions energy: -267.294 where: short stacking energy: -150.711 Base-Backbone interact. energy: -2.141 local terms energy: -270.048869 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -81.056 flat angles C4'-P-C4' energy: -76.935 flat angles P-C4'-P energy: -30.072 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: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -384.585717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.585717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.585717 (E_RNA) where: Base-Base interactions energy: -142.853 where: short stacking energy: -114.247 Base-Backbone interact. energy: -0.358 local terms energy: -241.374673 where: bonds (distance) C4'-P energy: -68.227 bonds (distance) P-C4' energy: -86.978 flat angles C4'-P-C4' energy: -57.681 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: 23.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1541.023598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.023598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.023598 (E_RNA) where: Base-Base interactions energy: -1060.204 where: short stacking energy: -466.081 Base-Backbone interact. energy: -0.127 local terms energy: -480.692670 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -92.767 flat angles C4'-P-C4' energy: -100.098 flat angles P-C4'-P energy: -74.735 tors. eta vs tors. theta energy: -124.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1479.121681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.121681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.121681 (E_RNA) where: Base-Base interactions energy: -988.025 where: short stacking energy: -447.850 Base-Backbone interact. energy: -2.383 local terms energy: -488.713271 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -93.128 flat angles C4'-P-C4' energy: -112.726 flat angles P-C4'-P energy: -67.938 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: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1386.134242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.134242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.134242 (E_RNA) where: Base-Base interactions energy: -891.121 where: short stacking energy: -450.215 Base-Backbone interact. energy: -3.041 local terms energy: -491.971799 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -87.046 flat angles C4'-P-C4' energy: -104.515 flat angles P-C4'-P energy: -77.474 tors. eta vs tors. theta energy: -131.139 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: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1348.304772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.304772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.304772 (E_RNA) where: Base-Base interactions energy: -898.815 where: short stacking energy: -398.088 Base-Backbone interact. energy: -1.112 local terms energy: -448.377926 where: bonds (distance) C4'-P energy: -80.315 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -97.345 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -119.300 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: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1106.863174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.863174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.863174 (E_RNA) where: Base-Base interactions energy: -722.279 where: short stacking energy: -341.624 Base-Backbone interact. energy: 0.942 local terms energy: -385.525648 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -87.875 flat angles C4'-P-C4' energy: -93.153 flat angles P-C4'-P energy: -42.182 tors. eta vs tors. theta energy: -82.890 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: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1034.874663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.874663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.874663 (E_RNA) where: Base-Base interactions energy: -664.993 where: short stacking energy: -324.408 Base-Backbone interact. energy: 4.240 local terms energy: -374.121564 where: bonds (distance) C4'-P energy: -70.023 bonds (distance) P-C4' energy: -91.938 flat angles C4'-P-C4' energy: -83.363 flat angles P-C4'-P energy: -54.045 tors. eta vs tors. theta energy: -74.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -828.859183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.859183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.859183 (E_RNA) where: Base-Base interactions energy: -478.561 where: short stacking energy: -239.675 Base-Backbone interact. energy: 0.807 local terms energy: -351.105933 where: bonds (distance) C4'-P energy: -67.441 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -92.973 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -33.273 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: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -644.046693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.046693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.046693 (E_RNA) where: Base-Base interactions energy: -336.406 where: short stacking energy: -178.143 Base-Backbone interact. energy: 0.364 local terms energy: -308.004275 where: bonds (distance) C4'-P energy: -74.036 bonds (distance) P-C4' energy: -81.890 flat angles C4'-P-C4' energy: -78.185 flat angles P-C4'-P energy: -61.129 tors. eta vs tors. theta energy: -12.764 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: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -499.182433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.182433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.182433 (E_RNA) where: Base-Base interactions energy: -232.225 where: short stacking energy: -141.384 Base-Backbone interact. energy: 1.423 local terms energy: -268.380640 where: bonds (distance) C4'-P energy: -75.393 bonds (distance) P-C4' energy: -80.830 flat angles C4'-P-C4' energy: -73.769 flat angles P-C4'-P energy: -34.979 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -358.216885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.216885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.216885 (E_RNA) where: Base-Base interactions energy: -97.565 where: short stacking energy: -82.352 Base-Backbone interact. energy: 6.305 local terms energy: -266.956516 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -100.400 flat angles C4'-P-C4' energy: -77.799 flat angles P-C4'-P energy: -44.543 tors. eta vs tors. theta energy: 26.008 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: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1558.716425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.716425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.716425 (E_RNA) where: Base-Base interactions energy: -1062.981 where: short stacking energy: -453.749 Base-Backbone interact. energy: -1.909 local terms energy: -493.825986 where: bonds (distance) C4'-P energy: -94.700 bonds (distance) P-C4' energy: -91.604 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -70.291 tors. eta vs tors. theta energy: -136.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1489.415446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.415446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.415446 (E_RNA) where: Base-Base interactions energy: -997.509 where: short stacking energy: -432.120 Base-Backbone interact. energy: 2.061 local terms energy: -493.967826 where: bonds (distance) C4'-P energy: -94.677 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -104.324 flat angles P-C4'-P energy: -71.233 tors. eta vs tors. theta energy: -132.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1339.468122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.468122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.468122 (E_RNA) where: Base-Base interactions energy: -883.675 where: short stacking energy: -412.723 Base-Backbone interact. energy: -2.266 local terms energy: -453.526888 where: bonds (distance) C4'-P energy: -82.980 bonds (distance) P-C4' energy: -96.507 flat angles C4'-P-C4' energy: -85.398 flat angles P-C4'-P energy: -66.475 tors. eta vs tors. theta energy: -122.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1301.782761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.782761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.782761 (E_RNA) where: Base-Base interactions energy: -860.010 where: short stacking energy: -382.017 Base-Backbone interact. energy: -1.722 local terms energy: -440.050686 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -93.301 flat angles C4'-P-C4' energy: -106.087 flat angles P-C4'-P energy: -57.849 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: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1138.548894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.548894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.548894 (E_RNA) where: Base-Base interactions energy: -732.377 where: short stacking energy: -340.511 Base-Backbone interact. energy: -1.364 local terms energy: -404.808043 where: bonds (distance) C4'-P energy: -82.258 bonds (distance) P-C4' energy: -70.461 flat angles C4'-P-C4' energy: -97.107 flat angles P-C4'-P energy: -65.272 tors. eta vs tors. theta energy: -89.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1019.296825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.296825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.296825 (E_RNA) where: Base-Base interactions energy: -638.372 where: short stacking energy: -305.071 Base-Backbone interact. energy: 1.942 local terms energy: -382.866051 where: bonds (distance) C4'-P energy: -71.661 bonds (distance) P-C4' energy: -91.588 flat angles C4'-P-C4' energy: -91.383 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -76.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -895.034991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.034991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.034991 (E_RNA) where: Base-Base interactions energy: -549.436 where: short stacking energy: -268.789 Base-Backbone interact. energy: 5.498 local terms energy: -351.097362 where: bonds (distance) C4'-P energy: -67.706 bonds (distance) P-C4' energy: -85.127 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -51.056 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: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -644.170395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.170395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.170395 (E_RNA) where: Base-Base interactions energy: -334.040 where: short stacking energy: -173.955 Base-Backbone interact. energy: -0.558 local terms energy: -309.571808 where: bonds (distance) C4'-P energy: -73.995 bonds (distance) P-C4' energy: -80.744 flat angles C4'-P-C4' energy: -83.789 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -23.996 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: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -504.862770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.862770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.862770 (E_RNA) where: Base-Base interactions energy: -230.738 where: short stacking energy: -142.318 Base-Backbone interact. energy: 0.105 local terms energy: -274.229554 where: bonds (distance) C4'-P energy: -82.947 bonds (distance) P-C4' energy: -82.632 flat angles C4'-P-C4' energy: -88.282 flat angles P-C4'-P energy: -46.738 tors. eta vs tors. theta energy: 26.369 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: 10, replica: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -376.517487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.517487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.517487 (E_RNA) where: Base-Base interactions energy: -134.476 where: short stacking energy: -89.744 Base-Backbone interact. energy: -2.632 local terms energy: -239.410068 where: bonds (distance) C4'-P energy: -64.449 bonds (distance) P-C4' energy: -85.606 flat angles C4'-P-C4' energy: -71.313 flat angles P-C4'-P energy: -37.854 tors. eta vs tors. theta energy: 19.813 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: 466 Temperature: 0.900000 Total energy: -1559.423711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.423711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.423711 (E_RNA) where: Base-Base interactions energy: -1042.419 where: short stacking energy: -451.082 Base-Backbone interact. energy: 0.697 local terms energy: -517.701929 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -99.982 flat angles C4'-P-C4' energy: -107.598 flat angles P-C4'-P energy: -77.784 tors. eta vs tors. theta energy: -137.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1483.665955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.665955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.665955 (E_RNA) where: Base-Base interactions energy: -1000.105 where: short stacking energy: -450.022 Base-Backbone interact. energy: -2.184 local terms energy: -481.377215 where: bonds (distance) C4'-P energy: -87.858 bonds (distance) P-C4' energy: -96.857 flat angles C4'-P-C4' energy: -96.263 flat angles P-C4'-P energy: -70.978 tors. eta vs tors. theta energy: -129.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1304.774085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.774085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.774085 (E_RNA) where: Base-Base interactions energy: -830.734 where: short stacking energy: -394.257 Base-Backbone interact. energy: -0.371 local terms energy: -473.669592 where: bonds (distance) C4'-P energy: -101.303 bonds (distance) P-C4' energy: -89.633 flat angles C4'-P-C4' energy: -97.694 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -118.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1307.438903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.438903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.438903 (E_RNA) where: Base-Base interactions energy: -873.052 where: short stacking energy: -393.409 Base-Backbone interact. energy: 1.165 local terms energy: -435.552306 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -86.779 flat angles C4'-P-C4' energy: -98.001 flat angles P-C4'-P energy: -64.287 tors. eta vs tors. theta energy: -110.577 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: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1133.942778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.942778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.942778 (E_RNA) where: Base-Base interactions energy: -724.784 where: short stacking energy: -336.317 Base-Backbone interact. energy: 0.477 local terms energy: -409.635850 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -97.624 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -50.120 tors. eta vs tors. theta energy: -76.468 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: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1030.788095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.788095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.788095 (E_RNA) where: Base-Base interactions energy: -649.683 where: short stacking energy: -305.664 Base-Backbone interact. energy: -1.481 local terms energy: -379.624001 where: bonds (distance) C4'-P energy: -78.600 bonds (distance) P-C4' energy: -96.787 flat angles C4'-P-C4' energy: -77.054 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -64.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -887.200001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.200001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.200001 (E_RNA) where: Base-Base interactions energy: -542.401 where: short stacking energy: -251.783 Base-Backbone interact. energy: -2.481 local terms energy: -342.317442 where: bonds (distance) C4'-P energy: -92.901 bonds (distance) P-C4' energy: -85.405 flat angles C4'-P-C4' energy: -81.913 flat angles P-C4'-P energy: -33.853 tors. eta vs tors. theta energy: -48.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -645.764541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.764541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.764541 (E_RNA) where: Base-Base interactions energy: -352.358 where: short stacking energy: -186.740 Base-Backbone interact. energy: -0.305 local terms energy: -293.100993 where: bonds (distance) C4'-P energy: -73.663 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -19.726 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: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -521.806552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.806552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.806552 (E_RNA) where: Base-Base interactions energy: -228.653 where: short stacking energy: -150.945 Base-Backbone interact. energy: 1.093 local terms energy: -294.246234 where: bonds (distance) C4'-P energy: -85.309 bonds (distance) P-C4' energy: -76.367 flat angles C4'-P-C4' energy: -65.751 flat angles P-C4'-P energy: -51.179 tors. eta vs tors. theta energy: -15.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -380.566883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.566883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.566883 (E_RNA) where: Base-Base interactions energy: -133.596 where: short stacking energy: -111.905 Base-Backbone interact. energy: 1.223 local terms energy: -248.193519 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -86.282 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -41.667 tors. eta vs tors. theta energy: 21.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1608.834651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.834651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.834651 (E_RNA) where: Base-Base interactions energy: -1092.846 where: short stacking energy: -484.117 Base-Backbone interact. energy: -5.868 local terms energy: -510.120337 where: bonds (distance) C4'-P energy: -100.149 bonds (distance) P-C4' energy: -93.793 flat angles C4'-P-C4' energy: -106.047 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -138.224 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: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1486.283692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.283692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.283692 (E_RNA) where: Base-Base interactions energy: -1000.704 where: short stacking energy: -453.182 Base-Backbone interact. energy: -3.597 local terms energy: -481.983241 where: bonds (distance) C4'-P energy: -95.770 bonds (distance) P-C4' energy: -90.884 flat angles C4'-P-C4' energy: -104.122 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -119.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1321.589614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.589614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.589614 (E_RNA) where: Base-Base interactions energy: -870.432 where: short stacking energy: -387.249 Base-Backbone interact. energy: 1.278 local terms energy: -452.435216 where: bonds (distance) C4'-P energy: -78.096 bonds (distance) P-C4' energy: -91.823 flat angles C4'-P-C4' energy: -101.866 flat angles P-C4'-P energy: -66.010 tors. eta vs tors. theta energy: -114.640 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: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1328.671959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.671959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.671959 (E_RNA) where: Base-Base interactions energy: -833.146 where: short stacking energy: -389.102 Base-Backbone interact. energy: -2.657 local terms energy: -492.869711 where: bonds (distance) C4'-P energy: -84.342 bonds (distance) P-C4' energy: -101.907 flat angles C4'-P-C4' energy: -107.671 flat angles P-C4'-P energy: -69.394 tors. eta vs tors. theta energy: -129.555 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: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1078.251942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.251942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.251942 (E_RNA) where: Base-Base interactions energy: -637.614 where: short stacking energy: -301.445 Base-Backbone interact. energy: -0.560 local terms energy: -440.078150 where: bonds (distance) C4'-P energy: -96.844 bonds (distance) P-C4' energy: -106.126 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -78.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1019.508522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.508522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.508522 (E_RNA) where: Base-Base interactions energy: -630.649 where: short stacking energy: -298.299 Base-Backbone interact. energy: -2.386 local terms energy: -386.473792 where: bonds (distance) C4'-P energy: -88.741 bonds (distance) P-C4' energy: -78.747 flat angles C4'-P-C4' energy: -88.547 flat angles P-C4'-P energy: -63.402 tors. eta vs tors. theta energy: -67.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -918.943053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.943053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.943053 (E_RNA) where: Base-Base interactions energy: -570.538 where: short stacking energy: -288.881 Base-Backbone interact. energy: -1.416 local terms energy: -346.989265 where: bonds (distance) C4'-P energy: -77.487 bonds (distance) P-C4' energy: -68.424 flat angles C4'-P-C4' energy: -80.141 flat angles P-C4'-P energy: -62.241 tors. eta vs tors. theta energy: -58.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -641.998578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.998578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.998578 (E_RNA) where: Base-Base interactions energy: -342.270 where: short stacking energy: -182.737 Base-Backbone interact. energy: 2.120 local terms energy: -301.849354 where: bonds (distance) C4'-P energy: -70.397 bonds (distance) P-C4' energy: -84.773 flat angles C4'-P-C4' energy: -84.065 flat angles P-C4'-P energy: -54.454 tors. eta vs tors. theta energy: -8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -556.059584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.059584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.059584 (E_RNA) where: Base-Base interactions energy: -272.897 where: short stacking energy: -154.416 Base-Backbone interact. energy: 1.135 local terms energy: -284.297494 where: bonds (distance) C4'-P energy: -68.113 bonds (distance) P-C4' energy: -88.172 flat angles C4'-P-C4' energy: -78.758 flat angles P-C4'-P energy: -40.254 tors. eta vs tors. theta energy: -9.001 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: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -382.646920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.646920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.646920 (E_RNA) where: Base-Base interactions energy: -133.143 where: short stacking energy: -113.527 Base-Backbone interact. energy: 5.766 local terms energy: -255.269456 where: bonds (distance) C4'-P energy: -80.296 bonds (distance) P-C4' energy: -80.444 flat angles C4'-P-C4' energy: -77.561 flat angles P-C4'-P energy: -24.497 tors. eta vs tors. theta energy: 7.529 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: 468 Temperature: 0.900000 Total energy: -1590.092723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.092723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.092723 (E_RNA) where: Base-Base interactions energy: -1085.241 where: short stacking energy: -479.987 Base-Backbone interact. energy: -2.939 local terms energy: -501.912458 where: bonds (distance) C4'-P energy: -94.927 bonds (distance) P-C4' energy: -98.680 flat angles C4'-P-C4' energy: -109.830 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -130.620 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: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1467.793667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.793667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.793667 (E_RNA) where: Base-Base interactions energy: -997.579 where: short stacking energy: -454.800 Base-Backbone interact. energy: 0.173 local terms energy: -470.387294 where: bonds (distance) C4'-P energy: -78.571 bonds (distance) P-C4' energy: -81.638 flat angles C4'-P-C4' energy: -100.563 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -133.604 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: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1347.397138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.397138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.397138 (E_RNA) where: Base-Base interactions energy: -862.084 where: short stacking energy: -405.962 Base-Backbone interact. energy: -3.831 local terms energy: -481.482323 where: bonds (distance) C4'-P energy: -97.927 bonds (distance) P-C4' energy: -88.878 flat angles C4'-P-C4' energy: -102.349 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -121.434 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: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1281.357674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.357674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.357674 (E_RNA) where: Base-Base interactions energy: -837.544 where: short stacking energy: -368.863 Base-Backbone interact. energy: -3.287 local terms energy: -440.526634 where: bonds (distance) C4'-P energy: -89.300 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -102.613 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: -101.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1147.625007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.625007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.625007 (E_RNA) where: Base-Base interactions energy: -736.468 where: short stacking energy: -316.357 Base-Backbone interact. energy: -1.841 local terms energy: -409.316377 where: bonds (distance) C4'-P energy: -85.648 bonds (distance) P-C4' energy: -88.740 flat angles C4'-P-C4' energy: -91.694 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -83.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1033.395926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.395926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.395926 (E_RNA) where: Base-Base interactions energy: -650.614 where: short stacking energy: -315.367 Base-Backbone interact. energy: 1.431 local terms energy: -384.213447 where: bonds (distance) C4'-P energy: -90.882 bonds (distance) P-C4' energy: -77.153 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -60.019 tors. eta vs tors. theta energy: -74.401 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: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -913.111609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.111609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.111609 (E_RNA) where: Base-Base interactions energy: -564.247 where: short stacking energy: -269.051 Base-Backbone interact. energy: 1.951 local terms energy: -350.815206 where: bonds (distance) C4'-P energy: -76.122 bonds (distance) P-C4' energy: -92.143 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -54.600 tors. eta vs tors. theta energy: -46.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -644.936406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.936406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.936406 (E_RNA) where: Base-Base interactions energy: -329.254 where: short stacking energy: -176.973 Base-Backbone interact. energy: -1.652 local terms energy: -314.029972 where: bonds (distance) C4'-P energy: -83.960 bonds (distance) P-C4' energy: -93.952 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -12.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -531.956581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.956581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.956581 (E_RNA) where: Base-Base interactions energy: -254.706 where: short stacking energy: -135.868 Base-Backbone interact. energy: -0.673 local terms energy: -276.577603 where: bonds (distance) C4'-P energy: -81.949 bonds (distance) P-C4' energy: -77.179 flat angles C4'-P-C4' energy: -66.064 flat angles P-C4'-P energy: -42.307 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: 10, replica: 3 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -377.596178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.596178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.596178 (E_RNA) where: Base-Base interactions energy: -119.285 where: short stacking energy: -107.547 Base-Backbone interact. energy: -0.471 local terms energy: -257.840831 where: bonds (distance) C4'-P energy: -91.452 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -19.994 tors. eta vs tors. theta energy: 11.504 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: 469 Temperature: 0.900000 Total energy: -1560.363128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.363128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.363128 (E_RNA) where: Base-Base interactions energy: -1059.376 where: short stacking energy: -469.624 Base-Backbone interact. energy: -3.657 local terms energy: -497.329777 where: bonds (distance) C4'-P energy: -87.205 bonds (distance) P-C4' energy: -92.582 flat angles C4'-P-C4' energy: -105.022 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -148.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1492.578358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.578358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.578358 (E_RNA) where: Base-Base interactions energy: -1013.320 where: short stacking energy: -450.890 Base-Backbone interact. energy: -1.216 local terms energy: -478.041899 where: bonds (distance) C4'-P energy: -94.371 bonds (distance) P-C4' energy: -80.958 flat angles C4'-P-C4' energy: -93.861 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -134.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1341.337542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.337542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.337542 (E_RNA) where: Base-Base interactions energy: -870.836 where: short stacking energy: -404.895 Base-Backbone interact. energy: -4.715 local terms energy: -465.787080 where: bonds (distance) C4'-P energy: -92.184 bonds (distance) P-C4' energy: -86.664 flat angles C4'-P-C4' energy: -94.067 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -122.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1298.348224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.348224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.348224 (E_RNA) where: Base-Base interactions energy: -860.673 where: short stacking energy: -388.671 Base-Backbone interact. energy: -3.026 local terms energy: -434.649475 where: bonds (distance) C4'-P energy: -81.452 bonds (distance) P-C4' energy: -91.358 flat angles C4'-P-C4' energy: -95.514 flat angles P-C4'-P energy: -57.386 tors. eta vs tors. theta energy: -108.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1137.660477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.660477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.660477 (E_RNA) where: Base-Base interactions energy: -732.117 where: short stacking energy: -333.427 Base-Backbone interact. energy: -1.781 local terms energy: -403.762263 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -88.930 flat angles C4'-P-C4' energy: -87.519 flat angles P-C4'-P energy: -57.846 tors. eta vs tors. theta energy: -89.647 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: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1063.905352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.905352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.905352 (E_RNA) where: Base-Base interactions energy: -644.714 where: short stacking energy: -292.954 Base-Backbone interact. energy: -1.608 local terms energy: -417.583078 where: bonds (distance) C4'-P energy: -94.293 bonds (distance) P-C4' energy: -90.898 flat angles C4'-P-C4' energy: -87.689 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -84.636 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: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -879.779094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.779094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.779094 (E_RNA) where: Base-Base interactions energy: -537.970 where: short stacking energy: -257.369 Base-Backbone interact. energy: -2.148 local terms energy: -339.660599 where: bonds (distance) C4'-P energy: -73.736 bonds (distance) P-C4' energy: -81.010 flat angles C4'-P-C4' energy: -85.985 flat angles P-C4'-P energy: -51.361 tors. eta vs tors. theta energy: -47.568 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: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -646.080763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.080763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.080763 (E_RNA) where: Base-Base interactions energy: -351.073 where: short stacking energy: -195.170 Base-Backbone interact. energy: -0.994 local terms energy: -294.013265 where: bonds (distance) C4'-P energy: -73.421 bonds (distance) P-C4' energy: -79.481 flat angles C4'-P-C4' energy: -82.542 flat angles P-C4'-P energy: -39.871 tors. eta vs tors. theta energy: -18.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -516.560199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.560199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.560199 (E_RNA) where: Base-Base interactions energy: -236.972 where: short stacking energy: -143.731 Base-Backbone interact. energy: -0.429 local terms energy: -279.158327 where: bonds (distance) C4'-P energy: -72.767 bonds (distance) P-C4' energy: -77.241 flat angles C4'-P-C4' energy: -72.275 flat angles P-C4'-P energy: -51.867 tors. eta vs tors. theta energy: -5.009 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: 3 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -386.708896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.708896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.708896 (E_RNA) where: Base-Base interactions energy: -137.907 where: short stacking energy: -125.682 Base-Backbone interact. energy: 1.726 local terms energy: -250.528332 where: bonds (distance) C4'-P energy: -52.756 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -82.849 flat angles P-C4'-P energy: -40.416 tors. eta vs tors. theta energy: 13.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1595.429695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.429695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.429695 (E_RNA) where: Base-Base interactions energy: -1085.730 where: short stacking energy: -480.593 Base-Backbone interact. energy: -4.661 local terms energy: -505.038395 where: bonds (distance) C4'-P energy: -82.778 bonds (distance) P-C4' energy: -94.555 flat angles C4'-P-C4' energy: -109.495 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -146.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1490.378531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.378531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.378531 (E_RNA) where: Base-Base interactions energy: -1023.849 where: short stacking energy: -446.117 Base-Backbone interact. energy: -1.216 local terms energy: -465.313744 where: bonds (distance) C4'-P energy: -79.267 bonds (distance) P-C4' energy: -95.519 flat angles C4'-P-C4' energy: -103.905 flat angles P-C4'-P energy: -52.996 tors. eta vs tors. theta energy: -133.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1337.586280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.586280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.586280 (E_RNA) where: Base-Base interactions energy: -871.286 where: short stacking energy: -407.123 Base-Backbone interact. energy: -1.487 local terms energy: -464.813872 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -92.940 flat angles C4'-P-C4' energy: -101.281 flat angles P-C4'-P energy: -64.949 tors. eta vs tors. theta energy: -114.126 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: 470 Temperature: 1.050000 Total energy: -1319.194860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.194860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.194860 (E_RNA) where: Base-Base interactions energy: -887.968 where: short stacking energy: -406.626 Base-Backbone interact. energy: 6.276 local terms energy: -437.502289 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -87.872 flat angles C4'-P-C4' energy: -88.910 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -113.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1108.147263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.147263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.147263 (E_RNA) where: Base-Base interactions energy: -698.662 where: short stacking energy: -324.936 Base-Backbone interact. energy: -2.002 local terms energy: -407.483878 where: bonds (distance) C4'-P energy: -83.149 bonds (distance) P-C4' energy: -92.206 flat angles C4'-P-C4' energy: -86.912 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -82.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1043.497986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.497986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.497986 (E_RNA) where: Base-Base interactions energy: -654.915 where: short stacking energy: -303.866 Base-Backbone interact. energy: -1.304 local terms energy: -387.279139 where: bonds (distance) C4'-P energy: -92.423 bonds (distance) P-C4' energy: -81.127 flat angles C4'-P-C4' energy: -97.632 flat angles P-C4'-P energy: -36.701 tors. eta vs tors. theta energy: -79.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -891.692645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.692645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.692645 (E_RNA) where: Base-Base interactions energy: -561.320 where: short stacking energy: -255.470 Base-Backbone interact. energy: -0.364 local terms energy: -330.008703 where: bonds (distance) C4'-P energy: -71.921 bonds (distance) P-C4' energy: -82.754 flat angles C4'-P-C4' energy: -72.364 flat angles P-C4'-P energy: -54.512 tors. eta vs tors. theta energy: -48.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -627.467171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.467171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.467171 (E_RNA) where: Base-Base interactions energy: -343.863 where: short stacking energy: -209.349 Base-Backbone interact. energy: 0.064 local terms energy: -283.667667 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -69.322 flat angles C4'-P-C4' energy: -57.001 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -26.328 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: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -516.539512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.539512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.539512 (E_RNA) where: Base-Base interactions energy: -256.126 where: short stacking energy: -166.465 Base-Backbone interact. energy: 3.017 local terms energy: -263.430701 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -71.979 flat angles C4'-P-C4' energy: -77.947 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -8.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -369.039682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.039682 (E_RNA) where: Base-Base interactions energy: -129.998 where: short stacking energy: -122.468 Base-Backbone interact. energy: -1.894 local terms energy: -237.147283 where: bonds (distance) C4'-P energy: -74.298 bonds (distance) P-C4' energy: -67.466 flat angles C4'-P-C4' energy: -67.366 flat angles P-C4'-P energy: -29.831 tors. eta vs tors. theta energy: 1.813 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: 471 Temperature: 0.900000 Total energy: -1554.225569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.225569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.225569 (E_RNA) where: Base-Base interactions energy: -1044.341 where: short stacking energy: -449.536 Base-Backbone interact. energy: -3.242 local terms energy: -506.642459 where: bonds (distance) C4'-P energy: -92.734 bonds (distance) P-C4' energy: -97.315 flat angles C4'-P-C4' energy: -106.255 flat angles P-C4'-P energy: -73.390 tors. eta vs tors. theta energy: -136.948 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: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1481.236434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.236434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.236434 (E_RNA) where: Base-Base interactions energy: -998.167 where: short stacking energy: -450.650 Base-Backbone interact. energy: -3.979 local terms energy: -479.091204 where: bonds (distance) C4'-P energy: -99.097 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -99.752 flat angles P-C4'-P energy: -64.249 tors. eta vs tors. theta energy: -130.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1329.699246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.699246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.699246 (E_RNA) where: Base-Base interactions energy: -854.580 where: short stacking energy: -389.743 Base-Backbone interact. energy: -4.144 local terms energy: -470.974465 where: bonds (distance) C4'-P energy: -95.677 bonds (distance) P-C4' energy: -90.651 flat angles C4'-P-C4' energy: -102.057 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: -110.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1304.086389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.086389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.086389 (E_RNA) where: Base-Base interactions energy: -857.704 where: short stacking energy: -389.035 Base-Backbone interact. energy: -1.035 local terms energy: -445.346875 where: bonds (distance) C4'-P energy: -82.595 bonds (distance) P-C4' energy: -94.183 flat angles C4'-P-C4' energy: -94.656 flat angles P-C4'-P energy: -65.163 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: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1181.493128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.493128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.493128 (E_RNA) where: Base-Base interactions energy: -763.917 where: short stacking energy: -354.207 Base-Backbone interact. energy: -1.184 local terms energy: -416.392062 where: bonds (distance) C4'-P energy: -84.878 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -92.216 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: -93.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1028.543773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.543773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.543773 (E_RNA) where: Base-Base interactions energy: -643.516 where: short stacking energy: -291.763 Base-Backbone interact. energy: -2.200 local terms energy: -382.827444 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -85.493 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: -63.603 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: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -959.917628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.917628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.917628 (E_RNA) where: Base-Base interactions energy: -570.239 where: short stacking energy: -270.432 Base-Backbone interact. energy: -2.735 local terms energy: -386.944007 where: bonds (distance) C4'-P energy: -83.155 bonds (distance) P-C4' energy: -94.454 flat angles C4'-P-C4' energy: -86.914 flat angles P-C4'-P energy: -61.764 tors. eta vs tors. theta energy: -60.657 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: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -626.358607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.358607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.358607 (E_RNA) where: Base-Base interactions energy: -323.138 where: short stacking energy: -177.471 Base-Backbone interact. energy: 0.950 local terms energy: -304.170423 where: bonds (distance) C4'-P energy: -71.274 bonds (distance) P-C4' energy: -82.588 flat angles C4'-P-C4' energy: -88.569 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -12.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -515.338694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.338694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.338694 (E_RNA) where: Base-Base interactions energy: -252.289 where: short stacking energy: -139.224 Base-Backbone interact. energy: 2.054 local terms energy: -265.103387 where: bonds (distance) C4'-P energy: -83.224 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -67.769 flat angles P-C4'-P energy: -33.552 tors. eta vs tors. theta energy: 2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -380.833242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.833242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.833242 (E_RNA) where: Base-Base interactions energy: -142.299 where: short stacking energy: -115.469 Base-Backbone interact. energy: -0.551 local terms energy: -237.983877 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -76.692 flat angles C4'-P-C4' energy: -72.719 flat angles P-C4'-P energy: -35.854 tors. eta vs tors. theta energy: 30.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1547.994780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.994780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.994780 (E_RNA) where: Base-Base interactions energy: -1025.576 where: short stacking energy: -475.043 Base-Backbone interact. energy: -2.328 local terms energy: -520.091004 where: bonds (distance) C4'-P energy: -97.088 bonds (distance) P-C4' energy: -100.808 flat angles C4'-P-C4' energy: -97.968 flat angles P-C4'-P energy: -84.113 tors. eta vs tors. theta energy: -140.114 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: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1476.792143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.792143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.792143 (E_RNA) where: Base-Base interactions energy: -1006.827 where: short stacking energy: -442.118 Base-Backbone interact. energy: -2.243 local terms energy: -467.722252 where: bonds (distance) C4'-P energy: -91.000 bonds (distance) P-C4' energy: -95.409 flat angles C4'-P-C4' energy: -107.616 flat angles P-C4'-P energy: -54.904 tors. eta vs tors. theta energy: -118.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1341.370436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.370436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.370436 (E_RNA) where: Base-Base interactions energy: -878.712 where: short stacking energy: -411.398 Base-Backbone interact. energy: 0.196 local terms energy: -462.854412 where: bonds (distance) C4'-P energy: -94.153 bonds (distance) P-C4' energy: -89.505 flat angles C4'-P-C4' energy: -103.594 flat angles P-C4'-P energy: -57.006 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: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1275.374287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.374287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.374287 (E_RNA) where: Base-Base interactions energy: -837.811 where: short stacking energy: -371.515 Base-Backbone interact. energy: -0.419 local terms energy: -437.143980 where: bonds (distance) C4'-P energy: -84.124 bonds (distance) P-C4' energy: -87.421 flat angles C4'-P-C4' energy: -91.814 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: -109.908 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: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1127.997438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.997438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.997438 (E_RNA) where: Base-Base interactions energy: -732.768 where: short stacking energy: -330.273 Base-Backbone interact. energy: -2.175 local terms energy: -393.054141 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -87.164 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -81.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1058.470725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.470725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.470725 (E_RNA) where: Base-Base interactions energy: -683.806 where: short stacking energy: -308.195 Base-Backbone interact. energy: -0.604 local terms energy: -374.060546 where: bonds (distance) C4'-P energy: -73.880 bonds (distance) P-C4' energy: -84.849 flat angles C4'-P-C4' energy: -80.268 flat angles P-C4'-P energy: -64.198 tors. eta vs tors. theta energy: -70.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -953.503888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.503888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.503888 (E_RNA) where: Base-Base interactions energy: -598.630 where: short stacking energy: -273.142 Base-Backbone interact. energy: -1.211 local terms energy: -353.662805 where: bonds (distance) C4'-P energy: -80.306 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -90.093 flat angles P-C4'-P energy: -51.576 tors. eta vs tors. theta energy: -70.778 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: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -645.731796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.731796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.731796 (E_RNA) where: Base-Base interactions energy: -340.330 where: short stacking energy: -206.601 Base-Backbone interact. energy: 2.188 local terms energy: -307.589182 where: bonds (distance) C4'-P energy: -83.632 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -15.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -439.217467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.217467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.217467 (E_RNA) where: Base-Base interactions energy: -185.496 where: short stacking energy: -149.004 Base-Backbone interact. energy: -0.668 local terms energy: -253.054185 where: bonds (distance) C4'-P energy: -86.639 bonds (distance) P-C4' energy: -77.549 flat angles C4'-P-C4' energy: -55.482 flat angles P-C4'-P energy: -41.617 tors. eta vs tors. theta energy: 8.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -483.944926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.944926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.944926 (E_RNA) where: Base-Base interactions energy: -245.472 where: short stacking energy: -140.113 Base-Backbone interact. energy: -0.940 local terms energy: -237.532590 where: bonds (distance) C4'-P energy: -61.847 bonds (distance) P-C4' energy: -66.607 flat angles C4'-P-C4' energy: -81.125 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: 16.700 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: 473 Temperature: 0.900000 Total energy: -1575.893446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.893446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.893446 (E_RNA) where: Base-Base interactions energy: -1070.969 where: short stacking energy: -472.064 Base-Backbone interact. energy: -2.761 local terms energy: -502.163789 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -98.239 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -66.362 tors. eta vs tors. theta energy: -140.686 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: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1452.984893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.984893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.984893 (E_RNA) where: Base-Base interactions energy: -960.246 where: short stacking energy: -442.055 Base-Backbone interact. energy: -1.044 local terms energy: -491.695617 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -98.653 flat angles C4'-P-C4' energy: -104.444 flat angles P-C4'-P energy: -75.594 tors. eta vs tors. theta energy: -121.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1328.772111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.772111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.772111 (E_RNA) where: Base-Base interactions energy: -852.048 where: short stacking energy: -392.738 Base-Backbone interact. energy: 0.186 local terms energy: -476.910790 where: bonds (distance) C4'-P energy: -104.013 bonds (distance) P-C4' energy: -91.285 flat angles C4'-P-C4' energy: -100.473 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -114.961 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: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1267.651119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.651119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.651119 (E_RNA) where: Base-Base interactions energy: -826.106 where: short stacking energy: -380.377 Base-Backbone interact. energy: 2.141 local terms energy: -443.685614 where: bonds (distance) C4'-P energy: -77.381 bonds (distance) P-C4' energy: -99.733 flat angles C4'-P-C4' energy: -97.671 flat angles P-C4'-P energy: -59.711 tors. eta vs tors. theta energy: -109.189 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: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1143.553673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.553673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.553673 (E_RNA) where: Base-Base interactions energy: -702.647 where: short stacking energy: -320.315 Base-Backbone interact. energy: -2.312 local terms energy: -438.594546 where: bonds (distance) C4'-P energy: -91.749 bonds (distance) P-C4' energy: -94.992 flat angles C4'-P-C4' energy: -104.334 flat angles P-C4'-P energy: -61.885 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: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1053.278628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.278628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.278628 (E_RNA) where: Base-Base interactions energy: -674.263 where: short stacking energy: -311.838 Base-Backbone interact. energy: -3.532 local terms energy: -375.483528 where: bonds (distance) C4'-P energy: -79.340 bonds (distance) P-C4' energy: -85.755 flat angles C4'-P-C4' energy: -85.441 flat angles P-C4'-P energy: -56.509 tors. eta vs tors. theta energy: -68.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -959.776014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.776014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.776014 (E_RNA) where: Base-Base interactions energy: -588.526 where: short stacking energy: -285.210 Base-Backbone interact. energy: 1.220 local terms energy: -372.469763 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -87.503 flat angles C4'-P-C4' energy: -90.591 flat angles P-C4'-P energy: -36.416 tors. eta vs tors. theta energy: -68.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -669.128572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.128572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.128572 (E_RNA) where: Base-Base interactions energy: -367.315 where: short stacking energy: -192.074 Base-Backbone interact. energy: 0.981 local terms energy: -302.795114 where: bonds (distance) C4'-P energy: -73.817 bonds (distance) P-C4' energy: -74.853 flat angles C4'-P-C4' energy: -79.329 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -20.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -392.473575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.473575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.473575 (E_RNA) where: Base-Base interactions energy: -141.183 where: short stacking energy: -116.068 Base-Backbone interact. energy: -1.841 local terms energy: -249.449363 where: bonds (distance) C4'-P energy: -67.711 bonds (distance) P-C4' energy: -90.254 flat angles C4'-P-C4' energy: -80.196 flat angles P-C4'-P energy: -37.846 tors. eta vs tors. theta energy: 26.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -481.614730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.614730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.614730 (E_RNA) where: Base-Base interactions energy: -205.848 where: short stacking energy: -126.517 Base-Backbone interact. energy: 2.617 local terms energy: -278.384340 where: bonds (distance) C4'-P energy: -80.783 bonds (distance) P-C4' energy: -92.748 flat angles C4'-P-C4' energy: -64.831 flat angles P-C4'-P energy: -43.214 tors. eta vs tors. theta energy: 3.192 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: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1558.053544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.053544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.053544 (E_RNA) where: Base-Base interactions energy: -1051.982 where: short stacking energy: -471.053 Base-Backbone interact. energy: 0.189 local terms energy: -506.261052 where: bonds (distance) C4'-P energy: -101.065 bonds (distance) P-C4' energy: -90.479 flat angles C4'-P-C4' energy: -101.487 flat angles P-C4'-P energy: -68.183 tors. eta vs tors. theta energy: -145.047 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: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1480.292542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.292542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.292542 (E_RNA) where: Base-Base interactions energy: -994.395 where: short stacking energy: -443.692 Base-Backbone interact. energy: -1.182 local terms energy: -484.715171 where: bonds (distance) C4'-P energy: -92.349 bonds (distance) P-C4' energy: -92.229 flat angles C4'-P-C4' energy: -116.212 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -127.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1334.877900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.877900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.877900 (E_RNA) where: Base-Base interactions energy: -863.519 where: short stacking energy: -389.015 Base-Backbone interact. energy: -1.635 local terms energy: -469.724539 where: bonds (distance) C4'-P energy: -91.037 bonds (distance) P-C4' energy: -81.826 flat angles C4'-P-C4' energy: -107.509 flat angles P-C4'-P energy: -75.012 tors. eta vs tors. theta energy: -114.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1287.612431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.612431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.612431 (E_RNA) where: Base-Base interactions energy: -853.348 where: short stacking energy: -404.418 Base-Backbone interact. energy: 3.153 local terms energy: -437.417430 where: bonds (distance) C4'-P energy: -86.031 bonds (distance) P-C4' energy: -79.740 flat angles C4'-P-C4' energy: -97.507 flat angles P-C4'-P energy: -59.120 tors. eta vs tors. theta energy: -115.019 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: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1119.910521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.910521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.910521 (E_RNA) where: Base-Base interactions energy: -721.334 where: short stacking energy: -345.370 Base-Backbone interact. energy: -0.357 local terms energy: -398.219030 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -93.295 flat angles P-C4'-P energy: -44.164 tors. eta vs tors. theta energy: -89.646 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: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -986.840947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.840947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.840947 (E_RNA) where: Base-Base interactions energy: -600.062 where: short stacking energy: -294.409 Base-Backbone interact. energy: -2.366 local terms energy: -384.412938 where: bonds (distance) C4'-P energy: -61.839 bonds (distance) P-C4' energy: -91.115 flat angles C4'-P-C4' energy: -105.444 flat angles P-C4'-P energy: -59.681 tors. eta vs tors. theta energy: -66.334 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: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -939.344844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.344844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.344844 (E_RNA) where: Base-Base interactions energy: -583.851 where: short stacking energy: -277.951 Base-Backbone interact. energy: 2.944 local terms energy: -358.438020 where: bonds (distance) C4'-P energy: -84.347 bonds (distance) P-C4' energy: -93.913 flat angles C4'-P-C4' energy: -90.254 flat angles P-C4'-P energy: -30.053 tors. eta vs tors. theta energy: -59.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -620.517186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.517186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.517186 (E_RNA) where: Base-Base interactions energy: -353.224 where: short stacking energy: -196.187 Base-Backbone interact. energy: 0.865 local terms energy: -268.157714 where: bonds (distance) C4'-P energy: -64.569 bonds (distance) P-C4' energy: -77.305 flat angles C4'-P-C4' energy: -66.677 flat angles P-C4'-P energy: -52.736 tors. eta vs tors. theta energy: -6.872 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: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -591.545200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.545200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.545200 (E_RNA) where: Base-Base interactions energy: -297.814 where: short stacking energy: -173.154 Base-Backbone interact. energy: 0.134 local terms energy: -293.864556 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -5.939 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: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -360.437727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.437727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.437727 (E_RNA) where: Base-Base interactions energy: -114.654 where: short stacking energy: -95.162 Base-Backbone interact. energy: -0.727 local terms energy: -245.056850 where: bonds (distance) C4'-P energy: -74.543 bonds (distance) P-C4' energy: -83.100 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -28.247 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: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1574.616216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.616216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.616216 (E_RNA) where: Base-Base interactions energy: -1042.588 where: short stacking energy: -477.074 Base-Backbone interact. energy: -4.927 local terms energy: -527.100263 where: bonds (distance) C4'-P energy: -107.619 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -110.165 flat angles P-C4'-P energy: -72.701 tors. eta vs tors. theta energy: -141.846 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: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1483.562480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.562480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.562480 (E_RNA) where: Base-Base interactions energy: -1011.840 where: short stacking energy: -446.977 Base-Backbone interact. energy: -0.923 local terms energy: -470.799036 where: bonds (distance) C4'-P energy: -87.115 bonds (distance) P-C4' energy: -91.553 flat angles C4'-P-C4' energy: -91.096 flat angles P-C4'-P energy: -65.923 tors. eta vs tors. theta energy: -135.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1319.077487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.077487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.077487 (E_RNA) where: Base-Base interactions energy: -886.245 where: short stacking energy: -404.489 Base-Backbone interact. energy: 1.844 local terms energy: -434.676020 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -89.926 flat angles C4'-P-C4' energy: -88.800 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -114.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1268.992799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.992799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.992799 (E_RNA) where: Base-Base interactions energy: -820.974 where: short stacking energy: -367.000 Base-Backbone interact. energy: -2.994 local terms energy: -445.024796 where: bonds (distance) C4'-P energy: -94.849 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -99.574 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -104.346 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: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1107.399267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.399267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.399267 (E_RNA) where: Base-Base interactions energy: -685.029 where: short stacking energy: -304.236 Base-Backbone interact. energy: -2.183 local terms energy: -420.187296 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -94.383 flat angles C4'-P-C4' energy: -95.779 flat angles P-C4'-P energy: -69.363 tors. eta vs tors. theta energy: -71.409 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: 6, replica: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -993.904110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.904110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.904110 (E_RNA) where: Base-Base interactions energy: -615.196 where: short stacking energy: -277.905 Base-Backbone interact. energy: -3.277 local terms energy: -375.431325 where: bonds (distance) C4'-P energy: -96.519 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -87.180 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -68.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -932.128935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.128935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.128935 (E_RNA) where: Base-Base interactions energy: -564.002 where: short stacking energy: -286.153 Base-Backbone interact. energy: -1.400 local terms energy: -366.726332 where: bonds (distance) C4'-P energy: -74.572 bonds (distance) P-C4' energy: -84.314 flat angles C4'-P-C4' energy: -83.637 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: -65.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -583.065709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.065709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.065709 (E_RNA) where: Base-Base interactions energy: -295.310 where: short stacking energy: -177.108 Base-Backbone interact. energy: -0.903 local terms energy: -286.852307 where: bonds (distance) C4'-P energy: -80.278 bonds (distance) P-C4' energy: -90.151 flat angles C4'-P-C4' energy: -74.995 flat angles P-C4'-P energy: -31.924 tors. eta vs tors. theta energy: -9.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -595.074566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.074566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.074566 (E_RNA) where: Base-Base interactions energy: -316.295 where: short stacking energy: -169.416 Base-Backbone interact. energy: 1.780 local terms energy: -280.560000 where: bonds (distance) C4'-P energy: -75.542 bonds (distance) P-C4' energy: -64.540 flat angles C4'-P-C4' energy: -76.073 flat angles P-C4'-P energy: -50.399 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -357.222030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.222030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.222030 (E_RNA) where: Base-Base interactions energy: -95.573 where: short stacking energy: -87.251 Base-Backbone interact. energy: 0.395 local terms energy: -262.043511 where: bonds (distance) C4'-P energy: -85.212 bonds (distance) P-C4' energy: -80.885 flat angles C4'-P-C4' energy: -74.335 flat angles P-C4'-P energy: -38.503 tors. eta vs tors. theta energy: 16.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1586.229422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.229422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.229422 (E_RNA) where: Base-Base interactions energy: -1083.674 where: short stacking energy: -499.194 Base-Backbone interact. energy: -4.753 local terms energy: -497.802248 where: bonds (distance) C4'-P energy: -82.406 bonds (distance) P-C4' energy: -95.052 flat angles C4'-P-C4' energy: -111.129 flat angles P-C4'-P energy: -64.652 tors. eta vs tors. theta energy: -144.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1441.389405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.389405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.389405 (E_RNA) where: Base-Base interactions energy: -950.976 where: short stacking energy: -405.847 Base-Backbone interact. energy: -0.781 local terms energy: -489.631598 where: bonds (distance) C4'-P energy: -100.860 bonds (distance) P-C4' energy: -92.331 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -121.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1310.841752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.841752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.841752 (E_RNA) where: Base-Base interactions energy: -856.638 where: short stacking energy: -381.456 Base-Backbone interact. energy: -1.614 local terms energy: -452.589736 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -101.161 flat angles C4'-P-C4' energy: -108.178 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -93.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1284.595832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.595832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.595832 (E_RNA) where: Base-Base interactions energy: -845.483 where: short stacking energy: -417.895 Base-Backbone interact. energy: -3.609 local terms energy: -435.503767 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -90.831 flat angles C4'-P-C4' energy: -93.668 flat angles P-C4'-P energy: -50.831 tors. eta vs tors. theta energy: -120.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1094.466678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.466678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.466678 (E_RNA) where: Base-Base interactions energy: -683.572 where: short stacking energy: -312.012 Base-Backbone interact. energy: 0.574 local terms energy: -411.467900 where: bonds (distance) C4'-P energy: -77.787 bonds (distance) P-C4' energy: -102.199 flat angles C4'-P-C4' energy: -93.787 flat angles P-C4'-P energy: -63.671 tors. eta vs tors. theta energy: -74.024 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: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -960.081775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.081775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.081775 (E_RNA) where: Base-Base interactions energy: -623.719 where: short stacking energy: -278.259 Base-Backbone interact. energy: 4.444 local terms energy: -340.806476 where: bonds (distance) C4'-P energy: -82.950 bonds (distance) P-C4' energy: -84.775 flat angles C4'-P-C4' energy: -88.093 flat angles P-C4'-P energy: -35.204 tors. eta vs tors. theta energy: -49.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -941.056048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.056048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.056048 (E_RNA) where: Base-Base interactions energy: -582.606 where: short stacking energy: -267.447 Base-Backbone interact. energy: -0.521 local terms energy: -357.929449 where: bonds (distance) C4'-P energy: -79.892 bonds (distance) P-C4' energy: -86.648 flat angles C4'-P-C4' energy: -70.294 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -69.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -594.379052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.379052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.379052 (E_RNA) where: Base-Base interactions energy: -291.311 where: short stacking energy: -165.564 Base-Backbone interact. energy: -3.611 local terms energy: -299.457256 where: bonds (distance) C4'-P energy: -90.687 bonds (distance) P-C4' energy: -84.668 flat angles C4'-P-C4' energy: -78.979 flat angles P-C4'-P energy: -28.183 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -606.929189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.929189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.929189 (E_RNA) where: Base-Base interactions energy: -313.804 where: short stacking energy: -170.108 Base-Backbone interact. energy: -0.090 local terms energy: -293.034907 where: bonds (distance) C4'-P energy: -77.606 bonds (distance) P-C4' energy: -90.324 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -43.422 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: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -371.087029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.087029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.087029 (E_RNA) where: Base-Base interactions energy: -125.821 where: short stacking energy: -100.068 Base-Backbone interact. energy: -1.596 local terms energy: -243.669677 where: bonds (distance) C4'-P energy: -78.217 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -63.052 flat angles P-C4'-P energy: -29.653 tors. eta vs tors. theta energy: 17.843 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: 477 Temperature: 0.900000 Total energy: -1589.909565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.909565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.909565 (E_RNA) where: Base-Base interactions energy: -1088.285 where: short stacking energy: -464.710 Base-Backbone interact. energy: -5.699 local terms energy: -495.925776 where: bonds (distance) C4'-P energy: -88.962 bonds (distance) P-C4' energy: -93.470 flat angles C4'-P-C4' energy: -101.956 flat angles P-C4'-P energy: -65.370 tors. eta vs tors. theta energy: -146.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1451.055632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.055632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.055632 (E_RNA) where: Base-Base interactions energy: -977.770 where: short stacking energy: -442.131 Base-Backbone interact. energy: -0.978 local terms energy: -472.308055 where: bonds (distance) C4'-P energy: -91.510 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -99.367 flat angles P-C4'-P energy: -62.290 tors. eta vs tors. theta energy: -126.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1368.294623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.294623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.294623 (E_RNA) where: Base-Base interactions energy: -897.136 where: short stacking energy: -411.097 Base-Backbone interact. energy: -4.407 local terms energy: -466.751266 where: bonds (distance) C4'-P energy: -90.900 bonds (distance) P-C4' energy: -97.317 flat angles C4'-P-C4' energy: -105.809 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -111.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1284.315564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.315564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.315564 (E_RNA) where: Base-Base interactions energy: -835.448 where: short stacking energy: -416.435 Base-Backbone interact. energy: -2.936 local terms energy: -445.931659 where: bonds (distance) C4'-P energy: -85.011 bonds (distance) P-C4' energy: -71.543 flat angles C4'-P-C4' energy: -89.111 flat angles P-C4'-P energy: -71.905 tors. eta vs tors. theta energy: -128.362 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: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1099.360064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.360064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.360064 (E_RNA) where: Base-Base interactions energy: -688.788 where: short stacking energy: -340.736 Base-Backbone interact. energy: -1.664 local terms energy: -408.908372 where: bonds (distance) C4'-P energy: -82.327 bonds (distance) P-C4' energy: -82.150 flat angles C4'-P-C4' energy: -99.414 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -83.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -967.522145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.522145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.522145 (E_RNA) where: Base-Base interactions energy: -601.870 where: short stacking energy: -261.832 Base-Backbone interact. energy: -2.557 local terms energy: -363.094703 where: bonds (distance) C4'-P energy: -90.460 bonds (distance) P-C4' energy: -87.775 flat angles C4'-P-C4' energy: -82.056 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -42.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -874.979173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.979173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.979173 (E_RNA) where: Base-Base interactions energy: -533.184 where: short stacking energy: -281.745 Base-Backbone interact. energy: -0.126 local terms energy: -341.669577 where: bonds (distance) C4'-P energy: -68.689 bonds (distance) P-C4' energy: -77.557 flat angles C4'-P-C4' energy: -76.388 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: -64.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -618.784051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.784051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.784051 (E_RNA) where: Base-Base interactions energy: -342.454 where: short stacking energy: -175.210 Base-Backbone interact. energy: -3.535 local terms energy: -272.795112 where: bonds (distance) C4'-P energy: -79.876 bonds (distance) P-C4' energy: -83.398 flat angles C4'-P-C4' energy: -73.515 flat angles P-C4'-P energy: -43.256 tors. eta vs tors. theta energy: 7.250 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: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -589.913248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.913248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.913248 (E_RNA) where: Base-Base interactions energy: -317.249 where: short stacking energy: -171.958 Base-Backbone interact. energy: 2.283 local terms energy: -274.947670 where: bonds (distance) C4'-P energy: -77.123 bonds (distance) P-C4' energy: -79.547 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -30.449 tors. eta vs tors. theta energy: -12.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -362.066023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.066023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.066023 (E_RNA) where: Base-Base interactions energy: -129.962 where: short stacking energy: -91.730 Base-Backbone interact. energy: 4.543 local terms energy: -236.646901 where: bonds (distance) C4'-P energy: -78.498 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -40.529 tors. eta vs tors. theta energy: 26.287 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: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1576.638341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.638341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.638341 (E_RNA) where: Base-Base interactions energy: -1057.056 where: short stacking energy: -459.627 Base-Backbone interact. energy: -1.725 local terms energy: -517.856562 where: bonds (distance) C4'-P energy: -89.415 bonds (distance) P-C4' energy: -101.221 flat angles C4'-P-C4' energy: -104.541 flat angles P-C4'-P energy: -75.907 tors. eta vs tors. theta energy: -146.772 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: 2, replica: 1 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1475.010331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.010331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.010331 (E_RNA) where: Base-Base interactions energy: -977.676 where: short stacking energy: -438.802 Base-Backbone interact. energy: -1.289 local terms energy: -496.045652 where: bonds (distance) C4'-P energy: -99.342 bonds (distance) P-C4' energy: -103.162 flat angles C4'-P-C4' energy: -103.288 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -123.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1349.142934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.142934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.142934 (E_RNA) where: Base-Base interactions energy: -885.341 where: short stacking energy: -412.283 Base-Backbone interact. energy: -2.197 local terms energy: -461.604853 where: bonds (distance) C4'-P energy: -80.987 bonds (distance) P-C4' energy: -92.568 flat angles C4'-P-C4' energy: -106.328 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: -110.517 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: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1288.489118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.489118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.489118 (E_RNA) where: Base-Base interactions energy: -851.121 where: short stacking energy: -409.892 Base-Backbone interact. energy: -0.362 local terms energy: -437.006236 where: bonds (distance) C4'-P energy: -79.126 bonds (distance) P-C4' energy: -76.763 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -66.073 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: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1167.138821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.138821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.138821 (E_RNA) where: Base-Base interactions energy: -728.883 where: short stacking energy: -329.136 Base-Backbone interact. energy: -0.858 local terms energy: -437.398529 where: bonds (distance) C4'-P energy: -97.509 bonds (distance) P-C4' energy: -104.756 flat angles C4'-P-C4' energy: -94.915 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -78.465 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: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1014.255407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.255407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.255407 (E_RNA) where: Base-Base interactions energy: -634.906 where: short stacking energy: -295.700 Base-Backbone interact. energy: 0.913 local terms energy: -380.261666 where: bonds (distance) C4'-P energy: -90.857 bonds (distance) P-C4' energy: -80.605 flat angles C4'-P-C4' energy: -99.259 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -57.925 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: 478 Temperature: 1.200000 Total energy: -942.188975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.188975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.188975 (E_RNA) where: Base-Base interactions energy: -582.020 where: short stacking energy: -289.383 Base-Backbone interact. energy: -2.393 local terms energy: -357.776446 where: bonds (distance) C4'-P energy: -83.734 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -60.961 tors. eta vs tors. theta energy: -61.782 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: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -637.218099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.218099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.218099 (E_RNA) where: Base-Base interactions energy: -328.077 where: short stacking energy: -171.746 Base-Backbone interact. energy: -2.368 local terms energy: -306.773371 where: bonds (distance) C4'-P energy: -79.813 bonds (distance) P-C4' energy: -90.898 flat angles C4'-P-C4' energy: -75.970 flat angles P-C4'-P energy: -54.899 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: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -557.372398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.372398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.372398 (E_RNA) where: Base-Base interactions energy: -276.690 where: short stacking energy: -167.665 Base-Backbone interact. energy: -1.736 local terms energy: -278.945823 where: bonds (distance) C4'-P energy: -68.228 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -84.594 flat angles P-C4'-P energy: -28.673 tors. eta vs tors. theta energy: -13.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -366.607249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.607249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.607249 (E_RNA) where: Base-Base interactions energy: -136.094 where: short stacking energy: -106.718 Base-Backbone interact. energy: -0.605 local terms energy: -229.908067 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -74.190 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -39.499 tors. eta vs tors. theta energy: 19.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1564.076386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.076386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.076386 (E_RNA) where: Base-Base interactions energy: -1058.960 where: short stacking energy: -447.708 Base-Backbone interact. energy: -2.623 local terms energy: -502.493665 where: bonds (distance) C4'-P energy: -92.814 bonds (distance) P-C4' energy: -98.084 flat angles C4'-P-C4' energy: -111.073 flat angles P-C4'-P energy: -67.452 tors. eta vs tors. theta energy: -133.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1471.732853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.732853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.732853 (E_RNA) where: Base-Base interactions energy: -990.373 where: short stacking energy: -427.008 Base-Backbone interact. energy: -1.916 local terms energy: -479.443926 where: bonds (distance) C4'-P energy: -96.863 bonds (distance) P-C4' energy: -101.635 flat angles C4'-P-C4' energy: -99.656 flat angles P-C4'-P energy: -61.217 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: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1330.710132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.710132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.710132 (E_RNA) where: Base-Base interactions energy: -857.825 where: short stacking energy: -405.420 Base-Backbone interact. energy: 0.788 local terms energy: -473.672868 where: bonds (distance) C4'-P energy: -88.656 bonds (distance) P-C4' energy: -95.660 flat angles C4'-P-C4' energy: -105.807 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -114.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1268.329378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.329378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.329378 (E_RNA) where: Base-Base interactions energy: -806.850 where: short stacking energy: -395.159 Base-Backbone interact. energy: -3.506 local terms energy: -457.974069 where: bonds (distance) C4'-P energy: -93.215 bonds (distance) P-C4' energy: -84.185 flat angles C4'-P-C4' energy: -106.026 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -114.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1149.161833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.161833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.161833 (E_RNA) where: Base-Base interactions energy: -712.992 where: short stacking energy: -337.688 Base-Backbone interact. energy: 5.240 local terms energy: -441.409203 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -98.640 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: -98.216 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: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -968.725432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.725432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.725432 (E_RNA) where: Base-Base interactions energy: -582.455 where: short stacking energy: -270.677 Base-Backbone interact. energy: -3.145 local terms energy: -383.125469 where: bonds (distance) C4'-P energy: -89.575 bonds (distance) P-C4' energy: -82.956 flat angles C4'-P-C4' energy: -87.526 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -51.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -884.356751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.356751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.356751 (E_RNA) where: Base-Base interactions energy: -544.695 where: short stacking energy: -244.896 Base-Backbone interact. energy: -2.068 local terms energy: -337.593776 where: bonds (distance) C4'-P energy: -71.838 bonds (distance) P-C4' energy: -69.669 flat angles C4'-P-C4' energy: -91.832 flat angles P-C4'-P energy: -69.157 tors. eta vs tors. theta energy: -35.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -561.992717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.992717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.992717 (E_RNA) where: Base-Base interactions energy: -275.125 where: short stacking energy: -169.006 Base-Backbone interact. energy: 1.468 local terms energy: -288.336016 where: bonds (distance) C4'-P energy: -87.018 bonds (distance) P-C4' energy: -83.753 flat angles C4'-P-C4' energy: -70.486 flat angles P-C4'-P energy: -41.641 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -595.803846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.803846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.803846 (E_RNA) where: Base-Base interactions energy: -293.694 where: short stacking energy: -161.127 Base-Backbone interact. energy: 0.625 local terms energy: -302.734434 where: bonds (distance) C4'-P energy: -79.246 bonds (distance) P-C4' energy: -83.065 flat angles C4'-P-C4' energy: -82.235 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: 3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -391.897144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.897144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.897144 (E_RNA) where: Base-Base interactions energy: -135.439 where: short stacking energy: -84.827 Base-Backbone interact. energy: -0.118 local terms energy: -256.339837 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -92.036 flat angles C4'-P-C4' energy: -62.864 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: 5.674 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: 480 Temperature: 0.900000 Total energy: -1576.019678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.019678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.019678 (E_RNA) where: Base-Base interactions energy: -1048.308 where: short stacking energy: -474.465 Base-Backbone interact. energy: -4.522 local terms energy: -523.189635 where: bonds (distance) C4'-P energy: -92.776 bonds (distance) P-C4' energy: -101.627 flat angles C4'-P-C4' energy: -114.960 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -144.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1450.610156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.610156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.610156 (E_RNA) where: Base-Base interactions energy: -963.075 where: short stacking energy: -405.891 Base-Backbone interact. energy: -2.634 local terms energy: -484.901813 where: bonds (distance) C4'-P energy: -95.394 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -101.341 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -119.631 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: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1324.768698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.768698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.768698 (E_RNA) where: Base-Base interactions energy: -864.709 where: short stacking energy: -372.566 Base-Backbone interact. energy: -4.139 local terms energy: -455.920805 where: bonds (distance) C4'-P energy: -101.808 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -91.547 flat angles P-C4'-P energy: -72.716 tors. eta vs tors. theta energy: -100.012 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: 480 Temperature: 1.050000 Total energy: -1249.426596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.426596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.426596 (E_RNA) where: Base-Base interactions energy: -831.074 where: short stacking energy: -395.828 Base-Backbone interact. energy: 1.417 local terms energy: -419.770148 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -91.143 flat angles P-C4'-P energy: -67.649 tors. eta vs tors. theta energy: -95.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1136.429359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.429359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.429359 (E_RNA) where: Base-Base interactions energy: -731.690 where: short stacking energy: -343.818 Base-Backbone interact. energy: -2.664 local terms energy: -402.074993 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -83.706 flat angles C4'-P-C4' energy: -82.809 flat angles P-C4'-P energy: -57.843 tors. eta vs tors. theta energy: -91.394 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: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1005.652882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.652882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.652882 (E_RNA) where: Base-Base interactions energy: -607.490 where: short stacking energy: -286.636 Base-Backbone interact. energy: -5.910 local terms energy: -392.253397 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -89.159 flat angles C4'-P-C4' energy: -92.330 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: -62.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -842.437809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.437809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.437809 (E_RNA) where: Base-Base interactions energy: -498.041 where: short stacking energy: -245.592 Base-Backbone interact. energy: 1.814 local terms energy: -346.211307 where: bonds (distance) C4'-P energy: -74.595 bonds (distance) P-C4' energy: -100.526 flat angles C4'-P-C4' energy: -94.431 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -25.741 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: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -540.425733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.425733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.425733 (E_RNA) where: Base-Base interactions energy: -265.227 where: short stacking energy: -169.968 Base-Backbone interact. energy: -0.167 local terms energy: -275.031526 where: bonds (distance) C4'-P energy: -78.027 bonds (distance) P-C4' energy: -77.889 flat angles C4'-P-C4' energy: -60.832 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -21.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -595.488626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.488626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.488626 (E_RNA) where: Base-Base interactions energy: -291.526 where: short stacking energy: -145.598 Base-Backbone interact. energy: -2.997 local terms energy: -300.965474 where: bonds (distance) C4'-P energy: -92.005 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -75.590 flat angles P-C4'-P energy: -39.359 tors. eta vs tors. theta energy: -12.099 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: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -379.291244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.291244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.291244 (E_RNA) where: Base-Base interactions energy: -120.121 where: short stacking energy: -106.501 Base-Backbone interact. energy: -1.564 local terms energy: -257.606191 where: bonds (distance) C4'-P energy: -74.353 bonds (distance) P-C4' energy: -86.577 flat angles C4'-P-C4' energy: -60.295 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: 10.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1574.519523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.519523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.519523 (E_RNA) where: Base-Base interactions energy: -1076.576 where: short stacking energy: -489.775 Base-Backbone interact. energy: -1.014 local terms energy: -496.929592 where: bonds (distance) C4'-P energy: -88.589 bonds (distance) P-C4' energy: -93.178 flat angles C4'-P-C4' energy: -101.713 flat angles P-C4'-P energy: -72.852 tors. eta vs tors. theta energy: -140.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1474.015462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.015462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.015462 (E_RNA) where: Base-Base interactions energy: -984.819 where: short stacking energy: -447.436 Base-Backbone interact. energy: -0.125 local terms energy: -489.072067 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -107.929 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -63.599 tors. eta vs tors. theta energy: -127.088 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: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1338.714862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.714862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.714862 (E_RNA) where: Base-Base interactions energy: -866.814 where: short stacking energy: -367.178 Base-Backbone interact. energy: -3.178 local terms energy: -468.722912 where: bonds (distance) C4'-P energy: -97.362 bonds (distance) P-C4' energy: -98.943 flat angles C4'-P-C4' energy: -95.051 flat angles P-C4'-P energy: -76.194 tors. eta vs tors. theta energy: -101.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1307.204309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.204309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.204309 (E_RNA) where: Base-Base interactions energy: -842.183 where: short stacking energy: -411.572 Base-Backbone interact. energy: -3.202 local terms energy: -461.819933 where: bonds (distance) C4'-P energy: -92.599 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -93.604 flat angles P-C4'-P energy: -61.717 tors. eta vs tors. theta energy: -130.212 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: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1127.606626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.606626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.606626 (E_RNA) where: Base-Base interactions energy: -736.170 where: short stacking energy: -333.917 Base-Backbone interact. energy: -0.158 local terms energy: -391.279229 where: bonds (distance) C4'-P energy: -86.129 bonds (distance) P-C4' energy: -90.759 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -42.839 tors. eta vs tors. theta energy: -87.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -995.442998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.442998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.442998 (E_RNA) where: Base-Base interactions energy: -630.938 where: short stacking energy: -275.872 Base-Backbone interact. energy: -0.271 local terms energy: -364.234569 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -83.295 flat angles C4'-P-C4' energy: -77.304 flat angles P-C4'-P energy: -54.353 tors. eta vs tors. theta energy: -63.911 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: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -862.133631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.133631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.133631 (E_RNA) where: Base-Base interactions energy: -490.361 where: short stacking energy: -231.892 Base-Backbone interact. energy: 2.935 local terms energy: -374.707279 where: bonds (distance) C4'-P energy: -83.561 bonds (distance) P-C4' energy: -81.808 flat angles C4'-P-C4' energy: -98.116 flat angles P-C4'-P energy: -67.890 tors. eta vs tors. theta energy: -43.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -663.172198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.172198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.172198 (E_RNA) where: Base-Base interactions energy: -380.577 where: short stacking energy: -205.678 Base-Backbone interact. energy: -1.050 local terms energy: -281.545176 where: bonds (distance) C4'-P energy: -64.252 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -88.661 flat angles P-C4'-P energy: -42.624 tors. eta vs tors. theta energy: -19.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -524.050535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.050535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.050535 (E_RNA) where: Base-Base interactions energy: -252.325 where: short stacking energy: -146.139 Base-Backbone interact. energy: -3.220 local terms energy: -268.505486 where: bonds (distance) C4'-P energy: -64.927 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -78.275 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -360.857791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.857791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.857791 (E_RNA) where: Base-Base interactions energy: -128.802 where: short stacking energy: -103.348 Base-Backbone interact. energy: -3.001 local terms energy: -229.054706 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -77.208 flat angles C4'-P-C4' energy: -67.103 flat angles P-C4'-P energy: -19.815 tors. eta vs tors. theta energy: 19.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1545.915120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.915120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.915120 (E_RNA) where: Base-Base interactions energy: -1033.508 where: short stacking energy: -450.155 Base-Backbone interact. energy: -4.329 local terms energy: -508.078840 where: bonds (distance) C4'-P energy: -94.107 bonds (distance) P-C4' energy: -104.614 flat angles C4'-P-C4' energy: -100.332 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -132.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1479.687822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.687822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.687822 (E_RNA) where: Base-Base interactions energy: -1006.161 where: short stacking energy: -442.014 Base-Backbone interact. energy: -0.870 local terms energy: -472.656190 where: bonds (distance) C4'-P energy: -81.547 bonds (distance) P-C4' energy: -100.258 flat angles C4'-P-C4' energy: -104.799 flat angles P-C4'-P energy: -61.831 tors. eta vs tors. theta energy: -124.221 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: 482 Temperature: 1.000000 Total energy: -1353.662036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.662036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.662036 (E_RNA) where: Base-Base interactions energy: -874.230 where: short stacking energy: -422.332 Base-Backbone interact. energy: -1.644 local terms energy: -477.788417 where: bonds (distance) C4'-P energy: -82.581 bonds (distance) P-C4' energy: -92.101 flat angles C4'-P-C4' energy: -102.804 flat angles P-C4'-P energy: -72.197 tors. eta vs tors. theta energy: -128.106 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: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1307.456906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.456906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.456906 (E_RNA) where: Base-Base interactions energy: -844.624 where: short stacking energy: -381.206 Base-Backbone interact. energy: -1.351 local terms energy: -461.482579 where: bonds (distance) C4'-P energy: -92.209 bonds (distance) P-C4' energy: -102.196 flat angles C4'-P-C4' energy: -95.715 flat angles P-C4'-P energy: -66.248 tors. eta vs tors. theta energy: -105.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1134.784810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.784810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.784810 (E_RNA) where: Base-Base interactions energy: -706.666 where: short stacking energy: -336.339 Base-Backbone interact. energy: -1.095 local terms energy: -427.024741 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -87.838 flat angles C4'-P-C4' energy: -96.031 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -93.469 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: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1030.807793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.807793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.807793 (E_RNA) where: Base-Base interactions energy: -668.798 where: short stacking energy: -297.609 Base-Backbone interact. energy: -3.373 local terms energy: -358.636726 where: bonds (distance) C4'-P energy: -71.795 bonds (distance) P-C4' energy: -79.296 flat angles C4'-P-C4' energy: -88.374 flat angles P-C4'-P energy: -50.597 tors. eta vs tors. theta energy: -68.574 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: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -820.507670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.507670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.507670 (E_RNA) where: Base-Base interactions energy: -511.544 where: short stacking energy: -235.736 Base-Backbone interact. energy: -2.399 local terms energy: -306.564165 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -79.121 flat angles C4'-P-C4' energy: -66.189 flat angles P-C4'-P energy: -44.257 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: 8, replica: 4 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -623.340970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.340970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.340970 (E_RNA) where: Base-Base interactions energy: -341.142 where: short stacking energy: -174.132 Base-Backbone interact. energy: -0.325 local terms energy: -281.873340 where: bonds (distance) C4'-P energy: -83.739 bonds (distance) P-C4' energy: -76.889 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -34.284 tors. eta vs tors. theta energy: -14.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -572.322018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.322018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.322018 (E_RNA) where: Base-Base interactions energy: -272.291 where: short stacking energy: -165.255 Base-Backbone interact. energy: 0.545 local terms energy: -300.576803 where: bonds (distance) C4'-P energy: -89.006 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -84.113 flat angles P-C4'-P energy: -49.379 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -411.594488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.594488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.594488 (E_RNA) where: Base-Base interactions energy: -167.438 where: short stacking energy: -123.969 Base-Backbone interact. energy: 2.128 local terms energy: -246.284533 where: bonds (distance) C4'-P energy: -80.888 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -53.006 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: 10.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1559.252614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.252614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.252614 (E_RNA) where: Base-Base interactions energy: -1069.693 where: short stacking energy: -438.573 Base-Backbone interact. energy: 0.102 local terms energy: -489.662330 where: bonds (distance) C4'-P energy: -90.904 bonds (distance) P-C4' energy: -101.603 flat angles C4'-P-C4' energy: -98.978 flat angles P-C4'-P energy: -67.363 tors. eta vs tors. theta energy: -130.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1463.255166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.255166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.255166 (E_RNA) where: Base-Base interactions energy: -981.305 where: short stacking energy: -411.090 Base-Backbone interact. energy: -3.345 local terms energy: -478.604974 where: bonds (distance) C4'-P energy: -84.800 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -99.669 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: -116.372 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: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1352.444747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.444747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.444747 (E_RNA) where: Base-Base interactions energy: -892.611 where: short stacking energy: -438.549 Base-Backbone interact. energy: -2.099 local terms energy: -457.735256 where: bonds (distance) C4'-P energy: -77.404 bonds (distance) P-C4' energy: -79.535 flat angles C4'-P-C4' energy: -97.788 flat angles P-C4'-P energy: -71.398 tors. eta vs tors. theta energy: -131.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1272.458597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.458597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.458597 (E_RNA) where: Base-Base interactions energy: -835.806 where: short stacking energy: -365.207 Base-Backbone interact. energy: -1.528 local terms energy: -435.124586 where: bonds (distance) C4'-P energy: -90.583 bonds (distance) P-C4' energy: -99.939 flat angles C4'-P-C4' energy: -96.874 flat angles P-C4'-P energy: -66.679 tors. eta vs tors. theta energy: -81.049 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: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1100.855611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.855611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.855611 (E_RNA) where: Base-Base interactions energy: -695.418 where: short stacking energy: -321.682 Base-Backbone interact. energy: 0.215 local terms energy: -405.653085 where: bonds (distance) C4'-P energy: -74.943 bonds (distance) P-C4' energy: -83.334 flat angles C4'-P-C4' energy: -89.226 flat angles P-C4'-P energy: -68.902 tors. eta vs tors. theta energy: -89.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -995.678417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.678417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.678417 (E_RNA) where: Base-Base interactions energy: -623.686 where: short stacking energy: -288.398 Base-Backbone interact. energy: -2.041 local terms energy: -369.951965 where: bonds (distance) C4'-P energy: -88.301 bonds (distance) P-C4' energy: -80.642 flat angles C4'-P-C4' energy: -91.411 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -57.793 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: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -799.707591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.707591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.707591 (E_RNA) where: Base-Base interactions energy: -446.435 where: short stacking energy: -227.051 Base-Backbone interact. energy: -1.458 local terms energy: -351.813714 where: bonds (distance) C4'-P energy: -87.284 bonds (distance) P-C4' energy: -86.878 flat angles C4'-P-C4' energy: -90.557 flat angles P-C4'-P energy: -53.646 tors. eta vs tors. theta energy: -33.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -623.518413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.518413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.518413 (E_RNA) where: Base-Base interactions energy: -320.005 where: short stacking energy: -171.726 Base-Backbone interact. energy: -2.964 local terms energy: -300.549715 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -91.205 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -19.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -529.267881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.267881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.267881 (E_RNA) where: Base-Base interactions energy: -264.072 where: short stacking energy: -169.007 Base-Backbone interact. energy: 5.366 local terms energy: -270.561783 where: bonds (distance) C4'-P energy: -74.713 bonds (distance) P-C4' energy: -75.798 flat angles C4'-P-C4' energy: -76.916 flat angles P-C4'-P energy: -35.881 tors. eta vs tors. theta energy: -7.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -352.177401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.177401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.177401 (E_RNA) where: Base-Base interactions energy: -125.307 where: short stacking energy: -90.352 Base-Backbone interact. energy: 0.401 local terms energy: -227.271345 where: bonds (distance) C4'-P energy: -78.323 bonds (distance) P-C4' energy: -81.125 flat angles C4'-P-C4' energy: -47.496 flat angles P-C4'-P energy: -33.589 tors. eta vs tors. theta energy: 13.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1576.230848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.230848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.230848 (E_RNA) where: Base-Base interactions energy: -1071.974 where: short stacking energy: -458.170 Base-Backbone interact. energy: 0.910 local terms energy: -505.166929 where: bonds (distance) C4'-P energy: -97.720 bonds (distance) P-C4' energy: -87.426 flat angles C4'-P-C4' energy: -112.977 flat angles P-C4'-P energy: -70.535 tors. eta vs tors. theta energy: -136.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1456.186814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.186814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.186814 (E_RNA) where: Base-Base interactions energy: -988.594 where: short stacking energy: -440.139 Base-Backbone interact. energy: -1.158 local terms energy: -466.434849 where: bonds (distance) C4'-P energy: -86.141 bonds (distance) P-C4' energy: -98.730 flat angles C4'-P-C4' energy: -96.825 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -121.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1357.948103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.948103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.948103 (E_RNA) where: Base-Base interactions energy: -883.586 where: short stacking energy: -420.290 Base-Backbone interact. energy: -2.666 local terms energy: -471.696735 where: bonds (distance) C4'-P energy: -95.221 bonds (distance) P-C4' energy: -82.921 flat angles C4'-P-C4' energy: -100.162 flat angles P-C4'-P energy: -65.111 tors. eta vs tors. theta energy: -128.281 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: 484 Temperature: 1.050000 Total energy: -1294.098835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.098835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.098835 (E_RNA) where: Base-Base interactions energy: -840.884 where: short stacking energy: -380.975 Base-Backbone interact. energy: -2.015 local terms energy: -451.199955 where: bonds (distance) C4'-P energy: -85.906 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -101.977 flat angles P-C4'-P energy: -67.721 tors. eta vs tors. theta energy: -99.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1083.489165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.489165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.489165 (E_RNA) where: Base-Base interactions energy: -682.317 where: short stacking energy: -321.557 Base-Backbone interact. energy: -0.779 local terms energy: -400.392612 where: bonds (distance) C4'-P energy: -81.430 bonds (distance) P-C4' energy: -93.802 flat angles C4'-P-C4' energy: -91.621 flat angles P-C4'-P energy: -63.751 tors. eta vs tors. theta energy: -69.788 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: 10 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1043.574983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.574983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.574983 (E_RNA) where: Base-Base interactions energy: -653.862 where: short stacking energy: -342.368 Base-Backbone interact. energy: 5.138 local terms energy: -394.851361 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -104.933 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: -83.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -812.752657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.752657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.752657 (E_RNA) where: Base-Base interactions energy: -458.706 where: short stacking energy: -219.400 Base-Backbone interact. energy: -2.326 local terms energy: -351.720759 where: bonds (distance) C4'-P energy: -89.309 bonds (distance) P-C4' energy: -89.959 flat angles C4'-P-C4' energy: -82.923 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -45.525 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: 4 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -647.101479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.101479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.101479 (E_RNA) where: Base-Base interactions energy: -341.678 where: short stacking energy: -208.726 Base-Backbone interact. energy: -1.435 local terms energy: -303.988471 where: bonds (distance) C4'-P energy: -88.567 bonds (distance) P-C4' energy: -82.853 flat angles C4'-P-C4' energy: -79.762 flat angles P-C4'-P energy: -35.717 tors. eta vs tors. theta energy: -17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -561.528324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.528324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.528324 (E_RNA) where: Base-Base interactions energy: -283.486 where: short stacking energy: -157.555 Base-Backbone interact. energy: 1.640 local terms energy: -279.682182 where: bonds (distance) C4'-P energy: -78.229 bonds (distance) P-C4' energy: -85.874 flat angles C4'-P-C4' energy: -82.184 flat angles P-C4'-P energy: -35.353 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: 10, replica: 3 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -362.468630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.468630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.468630 (E_RNA) where: Base-Base interactions energy: -118.140 where: short stacking energy: -104.603 Base-Backbone interact. energy: -0.131 local terms energy: -244.197994 where: bonds (distance) C4'-P energy: -72.344 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -60.839 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: 17.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1547.278918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.278918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.278918 (E_RNA) where: Base-Base interactions energy: -1053.304 where: short stacking energy: -463.189 Base-Backbone interact. energy: -1.081 local terms energy: -492.893585 where: bonds (distance) C4'-P energy: -90.540 bonds (distance) P-C4' energy: -93.424 flat angles C4'-P-C4' energy: -107.258 flat angles P-C4'-P energy: -63.985 tors. eta vs tors. theta energy: -137.686 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: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1457.605438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.605438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.605438 (E_RNA) where: Base-Base interactions energy: -990.765 where: short stacking energy: -430.480 Base-Backbone interact. energy: -2.820 local terms energy: -464.019709 where: bonds (distance) C4'-P energy: -79.542 bonds (distance) P-C4' energy: -87.955 flat angles C4'-P-C4' energy: -107.806 flat angles P-C4'-P energy: -63.552 tors. eta vs tors. theta energy: -125.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1368.158343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.158343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.158343 (E_RNA) where: Base-Base interactions energy: -892.014 where: short stacking energy: -429.724 Base-Backbone interact. energy: -2.849 local terms energy: -473.295788 where: bonds (distance) C4'-P energy: -88.134 bonds (distance) P-C4' energy: -86.099 flat angles C4'-P-C4' energy: -101.047 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -124.977 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: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1272.841038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.841038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.841038 (E_RNA) where: Base-Base interactions energy: -818.171 where: short stacking energy: -389.707 Base-Backbone interact. energy: -2.343 local terms energy: -452.327132 where: bonds (distance) C4'-P energy: -78.367 bonds (distance) P-C4' energy: -102.914 flat angles C4'-P-C4' energy: -109.305 flat angles P-C4'-P energy: -62.276 tors. eta vs tors. theta energy: -99.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1098.357552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.357552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.357552 (E_RNA) where: Base-Base interactions energy: -685.304 where: short stacking energy: -330.180 Base-Backbone interact. energy: -4.050 local terms energy: -409.003646 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -92.533 flat angles C4'-P-C4' energy: -92.594 flat angles P-C4'-P energy: -68.408 tors. eta vs tors. theta energy: -77.733 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: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1039.920884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.920884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.920884 (E_RNA) where: Base-Base interactions energy: -651.940 where: short stacking energy: -320.528 Base-Backbone interact. energy: -1.786 local terms energy: -386.195067 where: bonds (distance) C4'-P energy: -88.933 bonds (distance) P-C4' energy: -84.391 flat angles C4'-P-C4' energy: -92.911 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -71.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -821.126318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.126318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.126318 (E_RNA) where: Base-Base interactions energy: -465.107 where: short stacking energy: -256.129 Base-Backbone interact. energy: -2.529 local terms energy: -353.490519 where: bonds (distance) C4'-P energy: -93.660 bonds (distance) P-C4' energy: -74.774 flat angles C4'-P-C4' energy: -79.908 flat angles P-C4'-P energy: -54.894 tors. eta vs tors. theta energy: -50.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -697.588370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.588370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.588370 (E_RNA) where: Base-Base interactions energy: -369.143 where: short stacking energy: -194.055 Base-Backbone interact. energy: 2.185 local terms energy: -330.630331 where: bonds (distance) C4'-P energy: -91.006 bonds (distance) P-C4' energy: -93.882 flat angles C4'-P-C4' energy: -63.398 flat angles P-C4'-P energy: -45.208 tors. eta vs tors. theta energy: -37.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -518.078375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.078375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.078375 (E_RNA) where: Base-Base interactions energy: -238.303 where: short stacking energy: -139.841 Base-Backbone interact. energy: 2.296 local terms energy: -282.071075 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -75.671 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -12.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -393.520845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.520845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.520845 (E_RNA) where: Base-Base interactions energy: -159.381 where: short stacking energy: -103.516 Base-Backbone interact. energy: 8.231 local terms energy: -242.371730 where: bonds (distance) C4'-P energy: -81.628 bonds (distance) P-C4' energy: -80.896 flat angles C4'-P-C4' energy: -72.510 flat angles P-C4'-P energy: -24.943 tors. eta vs tors. theta energy: 17.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1557.352152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.352152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.352152 (E_RNA) where: Base-Base interactions energy: -1074.729 where: short stacking energy: -469.880 Base-Backbone interact. energy: -0.656 local terms energy: -481.967490 where: bonds (distance) C4'-P energy: -88.338 bonds (distance) P-C4' energy: -90.025 flat angles C4'-P-C4' energy: -102.481 flat angles P-C4'-P energy: -64.687 tors. eta vs tors. theta energy: -136.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1472.786595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.786595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.786595 (E_RNA) where: Base-Base interactions energy: -989.978 where: short stacking energy: -417.372 Base-Backbone interact. energy: -1.824 local terms energy: -480.984936 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -96.432 flat angles C4'-P-C4' energy: -106.020 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -114.996 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: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1338.382336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.382336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.382336 (E_RNA) where: Base-Base interactions energy: -861.504 where: short stacking energy: -405.143 Base-Backbone interact. energy: -1.790 local terms energy: -475.088020 where: bonds (distance) C4'-P energy: -97.004 bonds (distance) P-C4' energy: -83.627 flat angles C4'-P-C4' energy: -105.239 flat angles P-C4'-P energy: -65.021 tors. eta vs tors. theta energy: -124.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1284.048228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.048228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.048228 (E_RNA) where: Base-Base interactions energy: -842.984 where: short stacking energy: -372.960 Base-Backbone interact. energy: 1.936 local terms energy: -443.000338 where: bonds (distance) C4'-P energy: -75.671 bonds (distance) P-C4' energy: -95.723 flat angles C4'-P-C4' energy: -99.956 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -109.252 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: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1088.927793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.927793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.927793 (E_RNA) where: Base-Base interactions energy: -699.560 where: short stacking energy: -326.407 Base-Backbone interact. energy: -0.589 local terms energy: -388.779034 where: bonds (distance) C4'-P energy: -82.347 bonds (distance) P-C4' energy: -81.739 flat angles C4'-P-C4' energy: -89.070 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -85.052 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: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1011.675773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.675773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.675773 (E_RNA) where: Base-Base interactions energy: -629.920 where: short stacking energy: -284.288 Base-Backbone interact. energy: -0.833 local terms energy: -380.923257 where: bonds (distance) C4'-P energy: -70.712 bonds (distance) P-C4' energy: -95.098 flat angles C4'-P-C4' energy: -89.558 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -63.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -843.732687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.732687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.732687 (E_RNA) where: Base-Base interactions energy: -490.646 where: short stacking energy: -260.375 Base-Backbone interact. energy: -2.166 local terms energy: -350.920356 where: bonds (distance) C4'-P energy: -81.690 bonds (distance) P-C4' energy: -76.022 flat angles C4'-P-C4' energy: -93.881 flat angles P-C4'-P energy: -53.357 tors. eta vs tors. theta energy: -45.970 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: 4 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -707.212509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.212509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.212509 (E_RNA) where: Base-Base interactions energy: -388.169 where: short stacking energy: -203.534 Base-Backbone interact. energy: 2.539 local terms energy: -321.583234 where: bonds (distance) C4'-P energy: -89.789 bonds (distance) P-C4' energy: -90.144 flat angles C4'-P-C4' energy: -66.499 flat angles P-C4'-P energy: -50.685 tors. eta vs tors. theta energy: -24.465 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: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -517.947152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.947152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.947152 (E_RNA) where: Base-Base interactions energy: -242.163 where: short stacking energy: -162.593 Base-Backbone interact. energy: 0.557 local terms energy: -276.340708 where: bonds (distance) C4'-P energy: -61.962 bonds (distance) P-C4' energy: -87.342 flat angles C4'-P-C4' energy: -68.737 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -10.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -413.773706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.773706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.773706 (E_RNA) where: Base-Base interactions energy: -178.322 where: short stacking energy: -123.212 Base-Backbone interact. energy: -4.058 local terms energy: -231.393909 where: bonds (distance) C4'-P energy: -71.780 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -61.752 flat angles P-C4'-P energy: -28.075 tors. eta vs tors. theta energy: 19.083 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: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1566.098794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.098794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.098794 (E_RNA) where: Base-Base interactions energy: -1065.589 where: short stacking energy: -481.271 Base-Backbone interact. energy: -3.489 local terms energy: -497.020051 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -99.222 flat angles C4'-P-C4' energy: -104.697 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -138.378 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: 1 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1454.865676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.865676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.865676 (E_RNA) where: Base-Base interactions energy: -991.762 where: short stacking energy: -414.109 Base-Backbone interact. energy: -0.686 local terms energy: -462.417704 where: bonds (distance) C4'-P energy: -87.194 bonds (distance) P-C4' energy: -86.000 flat angles C4'-P-C4' energy: -107.398 flat angles P-C4'-P energy: -68.690 tors. eta vs tors. theta energy: -113.135 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: 487 Temperature: 1.000000 Total energy: -1313.683044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.683044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.683044 (E_RNA) where: Base-Base interactions energy: -852.227 where: short stacking energy: -395.430 Base-Backbone interact. energy: -1.808 local terms energy: -459.647495 where: bonds (distance) C4'-P energy: -86.902 bonds (distance) P-C4' energy: -95.487 flat angles C4'-P-C4' energy: -104.707 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -105.957 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: 487 Temperature: 1.050000 Total energy: -1298.707857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.707857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.707857 (E_RNA) where: Base-Base interactions energy: -833.983 where: short stacking energy: -365.372 Base-Backbone interact. energy: 3.705 local terms energy: -468.430041 where: bonds (distance) C4'-P energy: -98.300 bonds (distance) P-C4' energy: -103.207 flat angles C4'-P-C4' energy: -98.845 flat angles P-C4'-P energy: -55.802 tors. eta vs tors. theta energy: -112.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1110.635152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.635152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.635152 (E_RNA) where: Base-Base interactions energy: -720.294 where: short stacking energy: -303.532 Base-Backbone interact. energy: -2.834 local terms energy: -387.506992 where: bonds (distance) C4'-P energy: -80.348 bonds (distance) P-C4' energy: -82.593 flat angles C4'-P-C4' energy: -78.709 flat angles P-C4'-P energy: -71.838 tors. eta vs tors. theta energy: -74.020 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: 10 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -941.486151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.486151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.486151 (E_RNA) where: Base-Base interactions energy: -578.026 where: short stacking energy: -253.509 Base-Backbone interact. energy: -2.592 local terms energy: -360.868269 where: bonds (distance) C4'-P energy: -92.397 bonds (distance) P-C4' energy: -85.838 flat angles C4'-P-C4' energy: -91.041 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -38.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -816.386185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.386185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.386185 (E_RNA) where: Base-Base interactions energy: -472.725 where: short stacking energy: -249.524 Base-Backbone interact. energy: -1.068 local terms energy: -342.593181 where: bonds (distance) C4'-P energy: -69.419 bonds (distance) P-C4' energy: -92.890 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -56.242 tors. eta vs tors. theta energy: -52.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -687.462532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.462532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.462532 (E_RNA) where: Base-Base interactions energy: -384.671 where: short stacking energy: -186.026 Base-Backbone interact. energy: 1.844 local terms energy: -304.635527 where: bonds (distance) C4'-P energy: -62.557 bonds (distance) P-C4' energy: -80.421 flat angles C4'-P-C4' energy: -74.119 flat angles P-C4'-P energy: -56.947 tors. eta vs tors. theta energy: -30.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -539.857586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.857586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.857586 (E_RNA) where: Base-Base interactions energy: -241.539 where: short stacking energy: -148.430 Base-Backbone interact. energy: 7.644 local terms energy: -305.962412 where: bonds (distance) C4'-P energy: -80.713 bonds (distance) P-C4' energy: -81.420 flat angles C4'-P-C4' energy: -82.245 flat angles P-C4'-P energy: -45.436 tors. eta vs tors. theta energy: -16.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -471.712082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.712082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.712082 (E_RNA) where: Base-Base interactions energy: -227.647 where: short stacking energy: -134.795 Base-Backbone interact. energy: 4.151 local terms energy: -248.215505 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -81.941 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: 14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1586.294799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.294799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.294799 (E_RNA) where: Base-Base interactions energy: -1060.281 where: short stacking energy: -453.484 Base-Backbone interact. energy: -3.985 local terms energy: -522.028399 where: bonds (distance) C4'-P energy: -99.201 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -106.072 flat angles P-C4'-P energy: -78.890 tors. eta vs tors. theta energy: -147.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1475.860979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.860979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.860979 (E_RNA) where: Base-Base interactions energy: -979.267 where: short stacking energy: -429.571 Base-Backbone interact. energy: -1.623 local terms energy: -494.970744 where: bonds (distance) C4'-P energy: -84.538 bonds (distance) P-C4' energy: -111.947 flat angles C4'-P-C4' energy: -104.596 flat angles P-C4'-P energy: -76.375 tors. eta vs tors. theta energy: -117.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1337.702630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.702630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.702630 (E_RNA) where: Base-Base interactions energy: -854.479 where: short stacking energy: -415.398 Base-Backbone interact. energy: -0.754 local terms energy: -482.469580 where: bonds (distance) C4'-P energy: -101.628 bonds (distance) P-C4' energy: -101.683 flat angles C4'-P-C4' energy: -97.391 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -121.430 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: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1285.406280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.406280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.406280 (E_RNA) where: Base-Base interactions energy: -839.219 where: short stacking energy: -414.810 Base-Backbone interact. energy: -0.838 local terms energy: -445.349054 where: bonds (distance) C4'-P energy: -85.270 bonds (distance) P-C4' energy: -82.220 flat angles C4'-P-C4' energy: -102.742 flat angles P-C4'-P energy: -65.136 tors. eta vs tors. theta energy: -109.980 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: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1111.327447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.327447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.327447 (E_RNA) where: Base-Base interactions energy: -708.007 where: short stacking energy: -336.802 Base-Backbone interact. energy: -1.730 local terms energy: -401.590587 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -86.167 flat angles C4'-P-C4' energy: -90.639 flat angles P-C4'-P energy: -56.627 tors. eta vs tors. theta energy: -94.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -960.154103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.154103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.154103 (E_RNA) where: Base-Base interactions energy: -591.275 where: short stacking energy: -282.453 Base-Backbone interact. energy: -1.158 local terms energy: -367.720570 where: bonds (distance) C4'-P energy: -88.013 bonds (distance) P-C4' energy: -89.095 flat angles C4'-P-C4' energy: -87.978 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -52.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -835.834273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.834273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.834273 (E_RNA) where: Base-Base interactions energy: -470.498 where: short stacking energy: -240.520 Base-Backbone interact. energy: 0.815 local terms energy: -366.151163 where: bonds (distance) C4'-P energy: -84.837 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -94.865 flat angles P-C4'-P energy: -61.255 tors. eta vs tors. theta energy: -44.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -730.253216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.253216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.253216 (E_RNA) where: Base-Base interactions energy: -410.733 where: short stacking energy: -217.678 Base-Backbone interact. energy: -1.336 local terms energy: -318.184027 where: bonds (distance) C4'-P energy: -88.050 bonds (distance) P-C4' energy: -87.799 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -26.465 tors. eta vs tors. theta energy: -27.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -470.966875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.966875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.966875 (E_RNA) where: Base-Base interactions energy: -229.239 where: short stacking energy: -138.384 Base-Backbone interact. energy: 5.698 local terms energy: -247.425726 where: bonds (distance) C4'-P energy: -75.182 bonds (distance) P-C4' energy: -83.000 flat angles C4'-P-C4' energy: -58.068 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: 8.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -516.770709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.770709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.770709 (E_RNA) where: Base-Base interactions energy: -238.891 where: short stacking energy: -133.692 Base-Backbone interact. energy: 2.345 local terms energy: -280.225045 where: bonds (distance) C4'-P energy: -72.775 bonds (distance) P-C4' energy: -82.878 flat angles C4'-P-C4' energy: -76.739 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: 1.849 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: 489 Temperature: 0.900000 Total energy: -1568.253127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.253127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.253127 (E_RNA) where: Base-Base interactions energy: -1050.301 where: short stacking energy: -443.726 Base-Backbone interact. energy: -1.130 local terms energy: -516.822369 where: bonds (distance) C4'-P energy: -103.233 bonds (distance) P-C4' energy: -93.923 flat angles C4'-P-C4' energy: -103.096 flat angles P-C4'-P energy: -75.219 tors. eta vs tors. theta energy: -141.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1481.757889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.757889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.757889 (E_RNA) where: Base-Base interactions energy: -977.599 where: short stacking energy: -416.818 Base-Backbone interact. energy: -6.480 local terms energy: -497.679092 where: bonds (distance) C4'-P energy: -101.171 bonds (distance) P-C4' energy: -85.278 flat angles C4'-P-C4' energy: -111.526 flat angles P-C4'-P energy: -81.485 tors. eta vs tors. theta energy: -118.218 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: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1334.749220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.749220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.749220 (E_RNA) where: Base-Base interactions energy: -847.640 where: short stacking energy: -394.277 Base-Backbone interact. energy: 1.548 local terms energy: -488.657317 where: bonds (distance) C4'-P energy: -92.184 bonds (distance) P-C4' energy: -99.714 flat angles C4'-P-C4' energy: -99.091 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -123.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1240.421766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.421766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.421766 (E_RNA) where: Base-Base interactions energy: -804.513 where: short stacking energy: -387.276 Base-Backbone interact. energy: -3.645 local terms energy: -432.263794 where: bonds (distance) C4'-P energy: -86.009 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -98.485 flat angles P-C4'-P energy: -62.156 tors. eta vs tors. theta energy: -101.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1140.764423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.764423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.764423 (E_RNA) where: Base-Base interactions energy: -706.114 where: short stacking energy: -335.267 Base-Backbone interact. energy: -3.422 local terms energy: -431.227849 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -83.815 flat angles C4'-P-C4' energy: -99.092 flat angles P-C4'-P energy: -60.842 tors. eta vs tors. theta energy: -101.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -969.126840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.126840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.126840 (E_RNA) where: Base-Base interactions energy: -599.306 where: short stacking energy: -284.514 Base-Backbone interact. energy: -2.394 local terms energy: -367.426610 where: bonds (distance) C4'-P energy: -88.861 bonds (distance) P-C4' energy: -85.879 flat angles C4'-P-C4' energy: -79.150 flat angles P-C4'-P energy: -50.920 tors. eta vs tors. theta energy: -62.616 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: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -835.001076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.001076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.001076 (E_RNA) where: Base-Base interactions energy: -505.449 where: short stacking energy: -259.252 Base-Backbone interact. energy: -2.021 local terms energy: -327.530357 where: bonds (distance) C4'-P energy: -80.288 bonds (distance) P-C4' energy: -90.619 flat angles C4'-P-C4' energy: -73.723 flat angles P-C4'-P energy: -37.170 tors. eta vs tors. theta energy: -45.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -688.143976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.143976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.143976 (E_RNA) where: Base-Base interactions energy: -362.574 where: short stacking energy: -176.920 Base-Backbone interact. energy: 0.176 local terms energy: -325.746026 where: bonds (distance) C4'-P energy: -78.073 bonds (distance) P-C4' energy: -91.248 flat angles C4'-P-C4' energy: -73.005 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -23.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -474.480725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.480725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.480725 (E_RNA) where: Base-Base interactions energy: -211.940 where: short stacking energy: -143.539 Base-Backbone interact. energy: -1.258 local terms energy: -261.282174 where: bonds (distance) C4'-P energy: -70.161 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -77.657 flat angles P-C4'-P energy: -25.771 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -485.641238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.641238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.641238 (E_RNA) where: Base-Base interactions energy: -236.362 where: short stacking energy: -119.587 Base-Backbone interact. energy: 1.928 local terms energy: -251.207708 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -74.253 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -44.149 tors. eta vs tors. theta energy: 9.163 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: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1570.776839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.776839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.776839 (E_RNA) where: Base-Base interactions energy: -1090.792 where: short stacking energy: -462.563 Base-Backbone interact. energy: -1.776 local terms energy: -478.208840 where: bonds (distance) C4'-P energy: -91.434 bonds (distance) P-C4' energy: -89.449 flat angles C4'-P-C4' energy: -105.633 flat angles P-C4'-P energy: -66.525 tors. eta vs tors. theta energy: -125.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1493.660328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.660328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.660328 (E_RNA) where: Base-Base interactions energy: -1005.259 where: short stacking energy: -447.517 Base-Backbone interact. energy: -3.249 local terms energy: -485.152391 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -102.272 flat angles C4'-P-C4' energy: -105.887 flat angles P-C4'-P energy: -59.220 tors. eta vs tors. theta energy: -125.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1317.101626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.101626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.101626 (E_RNA) where: Base-Base interactions energy: -834.065 where: short stacking energy: -386.575 Base-Backbone interact. energy: -1.524 local terms energy: -481.512899 where: bonds (distance) C4'-P energy: -106.803 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -103.325 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -118.914 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: 490 Temperature: 1.050000 Total energy: -1227.166943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.166943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.166943 (E_RNA) where: Base-Base interactions energy: -796.808 where: short stacking energy: -393.715 Base-Backbone interact. energy: -1.398 local terms energy: -428.960608 where: bonds (distance) C4'-P energy: -92.082 bonds (distance) P-C4' energy: -85.657 flat angles C4'-P-C4' energy: -86.429 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -100.119 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: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1135.387148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.387148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.387148 (E_RNA) where: Base-Base interactions energy: -746.739 where: short stacking energy: -356.479 Base-Backbone interact. energy: -2.558 local terms energy: -386.090788 where: bonds (distance) C4'-P energy: -74.515 bonds (distance) P-C4' energy: -86.314 flat angles C4'-P-C4' energy: -70.207 flat angles P-C4'-P energy: -58.630 tors. eta vs tors. theta energy: -96.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -977.764215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.764215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.764215 (E_RNA) where: Base-Base interactions energy: -599.861 where: short stacking energy: -307.391 Base-Backbone interact. energy: -0.596 local terms energy: -377.307319 where: bonds (distance) C4'-P energy: -81.787 bonds (distance) P-C4' energy: -78.195 flat angles C4'-P-C4' energy: -86.912 flat angles P-C4'-P energy: -61.947 tors. eta vs tors. theta energy: -68.466 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: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -852.269056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.269056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.269056 (E_RNA) where: Base-Base interactions energy: -505.114 where: short stacking energy: -246.991 Base-Backbone interact. energy: 2.310 local terms energy: -349.464427 where: bonds (distance) C4'-P energy: -93.689 bonds (distance) P-C4' energy: -92.348 flat angles C4'-P-C4' energy: -72.623 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -37.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -701.405051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.405051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.405051 (E_RNA) where: Base-Base interactions energy: -381.349 where: short stacking energy: -198.445 Base-Backbone interact. energy: -0.951 local terms energy: -319.105593 where: bonds (distance) C4'-P energy: -73.774 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -78.483 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -30.994 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: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -548.191947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.191947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.191947 (E_RNA) where: Base-Base interactions energy: -244.025 where: short stacking energy: -141.406 Base-Backbone interact. energy: 6.966 local terms energy: -311.133010 where: bonds (distance) C4'-P energy: -84.779 bonds (distance) P-C4' energy: -90.198 flat angles C4'-P-C4' energy: -79.228 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -10.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -386.685672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.685672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.685672 (E_RNA) where: Base-Base interactions energy: -139.367 where: short stacking energy: -93.951 Base-Backbone interact. energy: 2.771 local terms energy: -250.090203 where: bonds (distance) C4'-P energy: -68.607 bonds (distance) P-C4' energy: -92.839 flat angles C4'-P-C4' energy: -74.954 flat angles P-C4'-P energy: -26.748 tors. eta vs tors. theta energy: 13.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1585.274142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.274142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.274142 (E_RNA) where: Base-Base interactions energy: -1054.747 where: short stacking energy: -432.914 Base-Backbone interact. energy: -5.096 local terms energy: -525.430890 where: bonds (distance) C4'-P energy: -90.465 bonds (distance) P-C4' energy: -102.663 flat angles C4'-P-C4' energy: -118.789 flat angles P-C4'-P energy: -81.873 tors. eta vs tors. theta energy: -131.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1495.117643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.117643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.117643 (E_RNA) where: Base-Base interactions energy: -1012.281 where: short stacking energy: -420.707 Base-Backbone interact. energy: -3.005 local terms energy: -479.831568 where: bonds (distance) C4'-P energy: -86.133 bonds (distance) P-C4' energy: -84.757 flat angles C4'-P-C4' energy: -106.294 flat angles P-C4'-P energy: -74.344 tors. eta vs tors. theta energy: -128.304 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: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1345.608164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.608164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.608164 (E_RNA) where: Base-Base interactions energy: -880.981 where: short stacking energy: -393.134 Base-Backbone interact. energy: -3.427 local terms energy: -461.200246 where: bonds (distance) C4'-P energy: -90.270 bonds (distance) P-C4' energy: -82.840 flat angles C4'-P-C4' energy: -102.025 flat angles P-C4'-P energy: -67.208 tors. eta vs tors. theta energy: -118.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1251.011096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.011096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.011096 (E_RNA) where: Base-Base interactions energy: -815.269 where: short stacking energy: -376.833 Base-Backbone interact. energy: -0.310 local terms energy: -435.432751 where: bonds (distance) C4'-P energy: -86.801 bonds (distance) P-C4' energy: -96.258 flat angles C4'-P-C4' energy: -97.381 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -100.155 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: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1143.665903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.665903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.665903 (E_RNA) where: Base-Base interactions energy: -721.817 where: short stacking energy: -350.156 Base-Backbone interact. energy: -0.970 local terms energy: -420.878687 where: bonds (distance) C4'-P energy: -85.469 bonds (distance) P-C4' energy: -94.867 flat angles C4'-P-C4' energy: -94.686 flat angles P-C4'-P energy: -56.823 tors. eta vs tors. theta energy: -89.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1002.681271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.681271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.681271 (E_RNA) where: Base-Base interactions energy: -629.560 where: short stacking energy: -304.559 Base-Backbone interact. energy: -2.837 local terms energy: -370.284022 where: bonds (distance) C4'-P energy: -83.807 bonds (distance) P-C4' energy: -81.392 flat angles C4'-P-C4' energy: -92.388 flat angles P-C4'-P energy: -41.622 tors. eta vs tors. theta energy: -71.076 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -805.134247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.134247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.134247 (E_RNA) where: Base-Base interactions energy: -479.029 where: short stacking energy: -227.991 Base-Backbone interact. energy: -2.608 local terms energy: -323.497445 where: bonds (distance) C4'-P energy: -70.953 bonds (distance) P-C4' energy: -84.950 flat angles C4'-P-C4' energy: -72.687 flat angles P-C4'-P energy: -59.269 tors. eta vs tors. theta energy: -35.640 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: 4 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -693.015562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.015562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.015562 (E_RNA) where: Base-Base interactions energy: -363.511 where: short stacking energy: -185.962 Base-Backbone interact. energy: 4.359 local terms energy: -333.863665 where: bonds (distance) C4'-P energy: -93.851 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -88.732 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -20.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -537.867485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.867485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.867485 (E_RNA) where: Base-Base interactions energy: -269.707 where: short stacking energy: -168.758 Base-Backbone interact. energy: -0.269 local terms energy: -267.890819 where: bonds (distance) C4'-P energy: -70.613 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -83.506 flat angles P-C4'-P energy: -35.739 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -377.441698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.441698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.441698 (E_RNA) where: Base-Base interactions energy: -116.340 where: short stacking energy: -81.808 Base-Backbone interact. energy: -3.390 local terms energy: -257.711585 where: bonds (distance) C4'-P energy: -87.823 bonds (distance) P-C4' energy: -87.010 flat angles C4'-P-C4' energy: -61.331 flat angles P-C4'-P energy: -40.160 tors. eta vs tors. theta energy: 18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1588.335210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.335210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.335210 (E_RNA) where: Base-Base interactions energy: -1086.723 where: short stacking energy: -469.494 Base-Backbone interact. energy: 6.121 local terms energy: -507.733156 where: bonds (distance) C4'-P energy: -91.413 bonds (distance) P-C4' energy: -99.888 flat angles C4'-P-C4' energy: -112.047 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -136.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1498.918742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.918742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.918742 (E_RNA) where: Base-Base interactions energy: -1015.744 where: short stacking energy: -443.926 Base-Backbone interact. energy: -2.790 local terms energy: -480.385108 where: bonds (distance) C4'-P energy: -89.507 bonds (distance) P-C4' energy: -104.382 flat angles C4'-P-C4' energy: -101.218 flat angles P-C4'-P energy: -65.108 tors. eta vs tors. theta energy: -120.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1330.012661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.012661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.012661 (E_RNA) where: Base-Base interactions energy: -859.797 where: short stacking energy: -392.805 Base-Backbone interact. energy: -0.776 local terms energy: -469.439730 where: bonds (distance) C4'-P energy: -93.925 bonds (distance) P-C4' energy: -97.977 flat angles C4'-P-C4' energy: -101.956 flat angles P-C4'-P energy: -63.985 tors. eta vs tors. theta energy: -111.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1293.455529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.455529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.455529 (E_RNA) where: Base-Base interactions energy: -848.276 where: short stacking energy: -365.120 Base-Backbone interact. energy: -0.943 local terms energy: -444.236787 where: bonds (distance) C4'-P energy: -96.923 bonds (distance) P-C4' energy: -84.308 flat angles C4'-P-C4' energy: -97.099 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -103.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1114.053808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.053808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.053808 (E_RNA) where: Base-Base interactions energy: -730.087 where: short stacking energy: -309.537 Base-Backbone interact. energy: -2.570 local terms energy: -381.397037 where: bonds (distance) C4'-P energy: -88.710 bonds (distance) P-C4' energy: -86.535 flat angles C4'-P-C4' energy: -78.558 flat angles P-C4'-P energy: -53.121 tors. eta vs tors. theta energy: -74.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1013.861847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.861847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.861847 (E_RNA) where: Base-Base interactions energy: -626.240 where: short stacking energy: -312.862 Base-Backbone interact. energy: -0.650 local terms energy: -386.971531 where: bonds (distance) C4'-P energy: -86.838 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -81.562 flat angles P-C4'-P energy: -58.490 tors. eta vs tors. theta energy: -74.922 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: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -820.941298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.941298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.941298 (E_RNA) where: Base-Base interactions energy: -480.791 where: short stacking energy: -244.401 Base-Backbone interact. energy: -1.060 local terms energy: -339.090509 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -82.632 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -26.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -749.033971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.033971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.033971 (E_RNA) where: Base-Base interactions energy: -435.544 where: short stacking energy: -215.727 Base-Backbone interact. energy: 1.275 local terms energy: -314.765405 where: bonds (distance) C4'-P energy: -87.628 bonds (distance) P-C4' energy: -84.942 flat angles C4'-P-C4' energy: -75.913 flat angles P-C4'-P energy: -27.604 tors. eta vs tors. theta energy: -38.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -502.705345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.705345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.705345 (E_RNA) where: Base-Base interactions energy: -226.966 where: short stacking energy: -137.718 Base-Backbone interact. energy: 0.263 local terms energy: -276.002119 where: bonds (distance) C4'-P energy: -75.197 bonds (distance) P-C4' energy: -87.067 flat angles C4'-P-C4' energy: -83.015 flat angles P-C4'-P energy: -33.957 tors. eta vs tors. theta energy: 3.234 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: 10, replica: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -377.690859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.690859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.690859 (E_RNA) where: Base-Base interactions energy: -141.105 where: short stacking energy: -105.854 Base-Backbone interact. energy: -0.402 local terms energy: -236.184837 where: bonds (distance) C4'-P energy: -62.406 bonds (distance) P-C4' energy: -82.898 flat angles C4'-P-C4' energy: -64.947 flat angles P-C4'-P energy: -33.805 tors. eta vs tors. theta energy: 7.871 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: 493 Temperature: 0.900000 Total energy: -1567.586187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.586187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.586187 (E_RNA) where: Base-Base interactions energy: -1064.630 where: short stacking energy: -436.666 Base-Backbone interact. energy: -2.914 local terms energy: -500.042511 where: bonds (distance) C4'-P energy: -96.505 bonds (distance) P-C4' energy: -105.836 flat angles C4'-P-C4' energy: -102.002 flat angles P-C4'-P energy: -67.859 tors. eta vs tors. theta energy: -127.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1507.871202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.871202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.871202 (E_RNA) where: Base-Base interactions energy: -1007.750 where: short stacking energy: -437.344 Base-Backbone interact. energy: -2.491 local terms energy: -497.630309 where: bonds (distance) C4'-P energy: -86.369 bonds (distance) P-C4' energy: -99.750 flat angles C4'-P-C4' energy: -108.974 flat angles P-C4'-P energy: -70.330 tors. eta vs tors. theta energy: -132.208 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: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1364.435399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.435399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.435399 (E_RNA) where: Base-Base interactions energy: -892.949 where: short stacking energy: -427.276 Base-Backbone interact. energy: -3.657 local terms energy: -467.828654 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -93.659 flat angles C4'-P-C4' energy: -99.711 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -127.682 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: 493 Temperature: 1.050000 Total energy: -1263.576388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.576388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.576388 (E_RNA) where: Base-Base interactions energy: -841.806 where: short stacking energy: -372.986 Base-Backbone interact. energy: -2.964 local terms energy: -418.806023 where: bonds (distance) C4'-P energy: -86.542 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -100.591 flat angles P-C4'-P energy: -54.800 tors. eta vs tors. theta energy: -95.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1162.147364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.147364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.147364 (E_RNA) where: Base-Base interactions energy: -742.442 where: short stacking energy: -331.456 Base-Backbone interact. energy: -2.547 local terms energy: -417.158711 where: bonds (distance) C4'-P energy: -71.958 bonds (distance) P-C4' energy: -93.661 flat angles C4'-P-C4' energy: -100.118 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -86.001 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: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -997.123571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.123571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.123571 (E_RNA) where: Base-Base interactions energy: -631.951 where: short stacking energy: -297.339 Base-Backbone interact. energy: -2.253 local terms energy: -362.920230 where: bonds (distance) C4'-P energy: -71.873 bonds (distance) P-C4' energy: -87.033 flat angles C4'-P-C4' energy: -84.765 flat angles P-C4'-P energy: -49.643 tors. eta vs tors. theta energy: -69.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -782.486332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.486332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.486332 (E_RNA) where: Base-Base interactions energy: -444.510 where: short stacking energy: -222.771 Base-Backbone interact. energy: -1.046 local terms energy: -336.930797 where: bonds (distance) C4'-P energy: -77.374 bonds (distance) P-C4' energy: -83.673 flat angles C4'-P-C4' energy: -76.022 flat angles P-C4'-P energy: -58.898 tors. eta vs tors. theta energy: -40.964 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: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -712.029749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.029749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.029749 (E_RNA) where: Base-Base interactions energy: -410.051 where: short stacking energy: -221.535 Base-Backbone interact. energy: -1.662 local terms energy: -300.316350 where: bonds (distance) C4'-P energy: -71.851 bonds (distance) P-C4' energy: -82.620 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: -31.906 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: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -524.358985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.358985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.358985 (E_RNA) where: Base-Base interactions energy: -251.133 where: short stacking energy: -149.304 Base-Backbone interact. energy: 2.399 local terms energy: -275.624923 where: bonds (distance) C4'-P energy: -69.508 bonds (distance) P-C4' energy: -73.924 flat angles C4'-P-C4' energy: -75.932 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: 4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -378.317815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.317815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.317815 (E_RNA) where: Base-Base interactions energy: -132.452 where: short stacking energy: -113.191 Base-Backbone interact. energy: 4.351 local terms energy: -250.216993 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -66.927 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: 9.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1547.901866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.901866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.901866 (E_RNA) where: Base-Base interactions energy: -1070.941 where: short stacking energy: -451.193 Base-Backbone interact. energy: -5.329 local terms energy: -471.632674 where: bonds (distance) C4'-P energy: -78.208 bonds (distance) P-C4' energy: -91.230 flat angles C4'-P-C4' energy: -108.902 flat angles P-C4'-P energy: -62.436 tors. eta vs tors. theta energy: -130.856 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: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1497.834531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.834531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.834531 (E_RNA) where: Base-Base interactions energy: -1017.548 where: short stacking energy: -437.527 Base-Backbone interact. energy: -3.537 local terms energy: -476.749692 where: bonds (distance) C4'-P energy: -84.222 bonds (distance) P-C4' energy: -100.566 flat angles C4'-P-C4' energy: -100.590 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -120.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1368.915849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.915849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.915849 (E_RNA) where: Base-Base interactions energy: -891.775 where: short stacking energy: -426.692 Base-Backbone interact. energy: -0.237 local terms energy: -476.904367 where: bonds (distance) C4'-P energy: -87.762 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -103.740 flat angles P-C4'-P energy: -71.812 tors. eta vs tors. theta energy: -124.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1286.413446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.413446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.413446 (E_RNA) where: Base-Base interactions energy: -832.878 where: short stacking energy: -386.400 Base-Backbone interact. energy: -1.304 local terms energy: -452.230929 where: bonds (distance) C4'-P energy: -91.831 bonds (distance) P-C4' energy: -96.302 flat angles C4'-P-C4' energy: -98.131 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -111.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1184.060173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.060173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.060173 (E_RNA) where: Base-Base interactions energy: -773.396 where: short stacking energy: -348.041 Base-Backbone interact. energy: -2.182 local terms energy: -408.482376 where: bonds (distance) C4'-P energy: -75.021 bonds (distance) P-C4' energy: -89.958 flat angles C4'-P-C4' energy: -88.213 flat angles P-C4'-P energy: -63.843 tors. eta vs tors. theta energy: -91.448 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: 494 Temperature: 1.150000 Total energy: -958.164207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.164207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.164207 (E_RNA) where: Base-Base interactions energy: -605.992 where: short stacking energy: -285.751 Base-Backbone interact. energy: -2.527 local terms energy: -349.645656 where: bonds (distance) C4'-P energy: -69.036 bonds (distance) P-C4' energy: -77.609 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: -58.133 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: 4 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -744.562465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.562465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.562465 (E_RNA) where: Base-Base interactions energy: -417.630 where: short stacking energy: -222.843 Base-Backbone interact. energy: 0.804 local terms energy: -327.736643 where: bonds (distance) C4'-P energy: -87.940 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -60.633 flat angles P-C4'-P energy: -59.950 tors. eta vs tors. theta energy: -30.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -811.763093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.763093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.763093 (E_RNA) where: Base-Base interactions energy: -463.727 where: short stacking energy: -233.755 Base-Backbone interact. energy: 0.206 local terms energy: -348.242228 where: bonds (distance) C4'-P energy: -82.466 bonds (distance) P-C4' energy: -89.414 flat angles C4'-P-C4' energy: -84.305 flat angles P-C4'-P energy: -53.478 tors. eta vs tors. theta energy: -38.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -499.130488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.130488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.130488 (E_RNA) where: Base-Base interactions energy: -244.947 where: short stacking energy: -145.374 Base-Backbone interact. energy: 0.123 local terms energy: -254.306764 where: bonds (distance) C4'-P energy: -67.929 bonds (distance) P-C4' energy: -74.777 flat angles C4'-P-C4' energy: -70.396 flat angles P-C4'-P energy: -37.277 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -372.951019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.951019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.951019 (E_RNA) where: Base-Base interactions energy: -110.666 where: short stacking energy: -74.365 Base-Backbone interact. energy: -1.809 local terms energy: -260.476448 where: bonds (distance) C4'-P energy: -73.096 bonds (distance) P-C4' energy: -81.870 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -40.548 tors. eta vs tors. theta energy: 15.702 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: 8 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1554.433738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.433738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.433738 (E_RNA) where: Base-Base interactions energy: -1033.179 where: short stacking energy: -428.058 Base-Backbone interact. energy: -3.309 local terms energy: -517.945662 where: bonds (distance) C4'-P energy: -106.930 bonds (distance) P-C4' energy: -96.189 flat angles C4'-P-C4' energy: -111.990 flat angles P-C4'-P energy: -75.200 tors. eta vs tors. theta energy: -127.637 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: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1471.091487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.091487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.091487 (E_RNA) where: Base-Base interactions energy: -996.552 where: short stacking energy: -436.527 Base-Backbone interact. energy: -2.012 local terms energy: -472.527196 where: bonds (distance) C4'-P energy: -86.512 bonds (distance) P-C4' energy: -97.352 flat angles C4'-P-C4' energy: -96.862 flat angles P-C4'-P energy: -69.551 tors. eta vs tors. theta energy: -122.250 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: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1386.484497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.484497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.484497 (E_RNA) where: Base-Base interactions energy: -910.031 where: short stacking energy: -412.538 Base-Backbone interact. energy: -2.546 local terms energy: -473.907196 where: bonds (distance) C4'-P energy: -93.721 bonds (distance) P-C4' energy: -96.709 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -66.118 tors. eta vs tors. theta energy: -116.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1301.812074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.812074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.812074 (E_RNA) where: Base-Base interactions energy: -871.655 where: short stacking energy: -420.771 Base-Backbone interact. energy: -0.021 local terms energy: -430.135595 where: bonds (distance) C4'-P energy: -71.706 bonds (distance) P-C4' energy: -86.361 flat angles C4'-P-C4' energy: -99.998 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -113.327 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: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1145.171270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.171270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.171270 (E_RNA) where: Base-Base interactions energy: -729.816 where: short stacking energy: -322.904 Base-Backbone interact. energy: -3.622 local terms energy: -411.733147 where: bonds (distance) C4'-P energy: -79.216 bonds (distance) P-C4' energy: -95.145 flat angles C4'-P-C4' energy: -98.776 flat angles P-C4'-P energy: -65.899 tors. eta vs tors. theta energy: -72.697 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: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -950.642609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.642609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.642609 (E_RNA) where: Base-Base interactions energy: -586.287 where: short stacking energy: -270.006 Base-Backbone interact. energy: 0.037 local terms energy: -364.392371 where: bonds (distance) C4'-P energy: -81.036 bonds (distance) P-C4' energy: -88.997 flat angles C4'-P-C4' energy: -84.712 flat angles P-C4'-P energy: -54.756 tors. eta vs tors. theta energy: -54.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -754.978013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.978013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.978013 (E_RNA) where: Base-Base interactions energy: -434.739 where: short stacking energy: -198.112 Base-Backbone interact. energy: -2.123 local terms energy: -318.116179 where: bonds (distance) C4'-P energy: -85.845 bonds (distance) P-C4' energy: -78.658 flat angles C4'-P-C4' energy: -95.059 flat angles P-C4'-P energy: -41.817 tors. eta vs tors. theta energy: -16.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -766.811146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.811146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.811146 (E_RNA) where: Base-Base interactions energy: -435.759 where: short stacking energy: -212.548 Base-Backbone interact. energy: -2.064 local terms energy: -328.988092 where: bonds (distance) C4'-P energy: -74.588 bonds (distance) P-C4' energy: -90.900 flat angles C4'-P-C4' energy: -84.606 flat angles P-C4'-P energy: -45.409 tors. eta vs tors. theta energy: -33.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -529.554410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.554410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.554410 (E_RNA) where: Base-Base interactions energy: -239.994 where: short stacking energy: -138.416 Base-Backbone interact. energy: -1.289 local terms energy: -288.270864 where: bonds (distance) C4'-P energy: -73.020 bonds (distance) P-C4' energy: -84.552 flat angles C4'-P-C4' energy: -77.964 flat angles P-C4'-P energy: -43.846 tors. eta vs tors. theta energy: -8.889 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: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -378.712795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.712795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.712795 (E_RNA) where: Base-Base interactions energy: -129.037 where: short stacking energy: -106.869 Base-Backbone interact. energy: 4.037 local terms energy: -253.712097 where: bonds (distance) C4'-P energy: -74.451 bonds (distance) P-C4' energy: -91.446 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -27.285 tors. eta vs tors. theta energy: 5.210 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: 1, replica: 8 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1560.602286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.602286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.602286 (E_RNA) where: Base-Base interactions energy: -1045.584 where: short stacking energy: -450.024 Base-Backbone interact. energy: -4.477 local terms energy: -510.542124 where: bonds (distance) C4'-P energy: -98.206 bonds (distance) P-C4' energy: -90.469 flat angles C4'-P-C4' energy: -109.100 flat angles P-C4'-P energy: -75.018 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: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1458.911737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.911737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.911737 (E_RNA) where: Base-Base interactions energy: -976.704 where: short stacking energy: -405.234 Base-Backbone interact. energy: -3.995 local terms energy: -478.213087 where: bonds (distance) C4'-P energy: -102.894 bonds (distance) P-C4' energy: -83.056 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -71.627 tors. eta vs tors. theta energy: -120.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1367.736996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.736996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.736996 (E_RNA) where: Base-Base interactions energy: -889.652 where: short stacking energy: -430.359 Base-Backbone interact. energy: -5.097 local terms energy: -472.988048 where: bonds (distance) C4'-P energy: -83.287 bonds (distance) P-C4' energy: -85.926 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -62.851 tors. eta vs tors. theta energy: -134.281 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: 496 Temperature: 1.050000 Total energy: -1257.728692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.728692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.728692 (E_RNA) where: Base-Base interactions energy: -810.776 where: short stacking energy: -367.712 Base-Backbone interact. energy: -0.921 local terms energy: -446.031418 where: bonds (distance) C4'-P energy: -92.166 bonds (distance) P-C4' energy: -78.306 flat angles C4'-P-C4' energy: -100.458 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -100.017 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: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1097.512522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.512522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.512522 (E_RNA) where: Base-Base interactions energy: -705.958 where: short stacking energy: -324.698 Base-Backbone interact. energy: -1.068 local terms energy: -390.486181 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -100.685 flat angles C4'-P-C4' energy: -81.132 flat angles P-C4'-P energy: -40.099 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: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -946.974822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.974822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.974822 (E_RNA) where: Base-Base interactions energy: -575.537 where: short stacking energy: -286.457 Base-Backbone interact. energy: -0.342 local terms energy: -371.096373 where: bonds (distance) C4'-P energy: -92.727 bonds (distance) P-C4' energy: -85.321 flat angles C4'-P-C4' energy: -86.489 flat angles P-C4'-P energy: -58.916 tors. eta vs tors. theta energy: -47.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -791.468418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.468418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.468418 (E_RNA) where: Base-Base interactions energy: -461.604 where: short stacking energy: -228.630 Base-Backbone interact. energy: -2.367 local terms energy: -327.497738 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -87.644 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: -54.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -722.238180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.238180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.238180 (E_RNA) where: Base-Base interactions energy: -418.550 where: short stacking energy: -208.203 Base-Backbone interact. energy: 0.537 local terms energy: -304.225454 where: bonds (distance) C4'-P energy: -64.590 bonds (distance) P-C4' energy: -96.430 flat angles C4'-P-C4' energy: -82.911 flat angles P-C4'-P energy: -37.740 tors. eta vs tors. theta energy: -22.554 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: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -520.389599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.389599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.389599 (E_RNA) where: Base-Base interactions energy: -246.858 where: short stacking energy: -150.916 Base-Backbone interact. energy: 0.920 local terms energy: -274.452261 where: bonds (distance) C4'-P energy: -71.044 bonds (distance) P-C4' energy: -80.110 flat angles C4'-P-C4' energy: -66.647 flat angles P-C4'-P energy: -45.226 tors. eta vs tors. theta energy: -11.426 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: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -397.313237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.313237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.313237 (E_RNA) where: Base-Base interactions energy: -165.720 where: short stacking energy: -122.767 Base-Backbone interact. energy: 2.726 local terms energy: -234.318886 where: bonds (distance) C4'-P energy: -79.025 bonds (distance) P-C4' energy: -72.582 flat angles C4'-P-C4' energy: -58.850 flat angles P-C4'-P energy: -37.303 tors. eta vs tors. theta energy: 13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1609.596826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.596826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.596826 (E_RNA) where: Base-Base interactions energy: -1103.496 where: short stacking energy: -456.260 Base-Backbone interact. energy: -3.609 local terms energy: -502.491510 where: bonds (distance) C4'-P energy: -104.976 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -106.377 flat angles P-C4'-P energy: -64.218 tors. eta vs tors. theta energy: -134.502 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: 1 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1483.199835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.199835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.199835 (E_RNA) where: Base-Base interactions energy: -1009.455 where: short stacking energy: -449.462 Base-Backbone interact. energy: 1.910 local terms energy: -475.654582 where: bonds (distance) C4'-P energy: -95.831 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -110.701 flat angles P-C4'-P energy: -62.760 tors. eta vs tors. theta energy: -124.778 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: 497 Temperature: 1.000000 Total energy: -1325.128417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.128417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.128417 (E_RNA) where: Base-Base interactions energy: -849.383 where: short stacking energy: -391.004 Base-Backbone interact. energy: -4.391 local terms energy: -471.354989 where: bonds (distance) C4'-P energy: -89.164 bonds (distance) P-C4' energy: -97.533 flat angles C4'-P-C4' energy: -99.718 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -115.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1288.071956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.071956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.071956 (E_RNA) where: Base-Base interactions energy: -830.108 where: short stacking energy: -383.782 Base-Backbone interact. energy: 1.090 local terms energy: -459.053469 where: bonds (distance) C4'-P energy: -84.678 bonds (distance) P-C4' energy: -104.902 flat angles C4'-P-C4' energy: -98.671 flat angles P-C4'-P energy: -70.657 tors. eta vs tors. theta energy: -100.146 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: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1127.262078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.262078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.262078 (E_RNA) where: Base-Base interactions energy: -739.623 where: short stacking energy: -343.948 Base-Backbone interact. energy: 5.531 local terms energy: -393.169418 where: bonds (distance) C4'-P energy: -87.916 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -84.116 flat angles P-C4'-P energy: -49.083 tors. eta vs tors. theta energy: -81.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -951.078113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.078113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.078113 (E_RNA) where: Base-Base interactions energy: -580.678 where: short stacking energy: -261.602 Base-Backbone interact. energy: -0.099 local terms energy: -370.301266 where: bonds (distance) C4'-P energy: -76.990 bonds (distance) P-C4' energy: -80.864 flat angles C4'-P-C4' energy: -90.667 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -56.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -763.445418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.445418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.445418 (E_RNA) where: Base-Base interactions energy: -441.178 where: short stacking energy: -221.954 Base-Backbone interact. energy: -2.076 local terms energy: -320.191816 where: bonds (distance) C4'-P energy: -81.765 bonds (distance) P-C4' energy: -87.454 flat angles C4'-P-C4' energy: -80.007 flat angles P-C4'-P energy: -45.216 tors. eta vs tors. theta energy: -25.751 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: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -723.424393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.424393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.424393 (E_RNA) where: Base-Base interactions energy: -409.183 where: short stacking energy: -203.281 Base-Backbone interact. energy: 0.935 local terms energy: -315.176062 where: bonds (distance) C4'-P energy: -75.332 bonds (distance) P-C4' energy: -76.320 flat angles C4'-P-C4' energy: -95.118 flat angles P-C4'-P energy: -41.330 tors. eta vs tors. theta energy: -27.076 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: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -543.367485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.367485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.367485 (E_RNA) where: Base-Base interactions energy: -273.638 where: short stacking energy: -172.325 Base-Backbone interact. energy: -2.601 local terms energy: -267.128036 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -84.748 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -40.530 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -378.457872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.457872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.457872 (E_RNA) where: Base-Base interactions energy: -103.589 where: short stacking energy: -74.933 Base-Backbone interact. energy: -0.707 local terms energy: -274.162030 where: bonds (distance) C4'-P energy: -86.835 bonds (distance) P-C4' energy: -88.070 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -60.778 tors. eta vs tors. theta energy: 24.226 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: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1569.727507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.727507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.727507 (E_RNA) where: Base-Base interactions energy: -1053.172 where: short stacking energy: -441.274 Base-Backbone interact. energy: -7.264 local terms energy: -509.291061 where: bonds (distance) C4'-P energy: -102.136 bonds (distance) P-C4' energy: -90.379 flat angles C4'-P-C4' energy: -112.341 flat angles P-C4'-P energy: -70.592 tors. eta vs tors. theta energy: -133.843 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: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1478.298484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.298484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.298484 (E_RNA) where: Base-Base interactions energy: -971.255 where: short stacking energy: -425.748 Base-Backbone interact. energy: -2.998 local terms energy: -504.046206 where: bonds (distance) C4'-P energy: -90.602 bonds (distance) P-C4' energy: -99.252 flat angles C4'-P-C4' energy: -112.104 flat angles P-C4'-P energy: -72.409 tors. eta vs tors. theta energy: -129.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1362.571752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.571752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.571752 (E_RNA) where: Base-Base interactions energy: -888.914 where: short stacking energy: -418.035 Base-Backbone interact. energy: -1.904 local terms energy: -471.753709 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -84.235 flat angles C4'-P-C4' energy: -101.148 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -114.280 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: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1301.764985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.764985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.764985 (E_RNA) where: Base-Base interactions energy: -844.654 where: short stacking energy: -399.370 Base-Backbone interact. energy: -0.510 local terms energy: -456.601364 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -97.687 flat angles C4'-P-C4' energy: -97.719 flat angles P-C4'-P energy: -72.018 tors. eta vs tors. theta energy: -112.004 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: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1108.118295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.118295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.118295 (E_RNA) where: Base-Base interactions energy: -687.886 where: short stacking energy: -316.280 Base-Backbone interact. energy: -1.860 local terms energy: -418.373145 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -84.000 flat angles C4'-P-C4' energy: -95.145 flat angles P-C4'-P energy: -68.269 tors. eta vs tors. theta energy: -83.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -938.842574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.842574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.842574 (E_RNA) where: Base-Base interactions energy: -562.514 where: short stacking energy: -262.184 Base-Backbone interact. energy: 0.595 local terms energy: -376.923833 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -100.689 flat angles C4'-P-C4' energy: -83.674 flat angles P-C4'-P energy: -47.411 tors. eta vs tors. theta energy: -57.124 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: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -761.495380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.495380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.495380 (E_RNA) where: Base-Base interactions energy: -395.668 where: short stacking energy: -203.332 Base-Backbone interact. energy: -1.536 local terms energy: -364.291580 where: bonds (distance) C4'-P energy: -89.652 bonds (distance) P-C4' energy: -89.419 flat angles C4'-P-C4' energy: -88.022 flat angles P-C4'-P energy: -65.172 tors. eta vs tors. theta energy: -32.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -781.026407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.026407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.026407 (E_RNA) where: Base-Base interactions energy: -460.987 where: short stacking energy: -231.417 Base-Backbone interact. energy: -0.310 local terms energy: -319.729242 where: bonds (distance) C4'-P energy: -82.835 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -88.468 flat angles P-C4'-P energy: -38.233 tors. eta vs tors. theta energy: -30.065 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: 498 Temperature: 1.300000 Total energy: -564.950674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.950674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.950674 (E_RNA) where: Base-Base interactions energy: -286.975 where: short stacking energy: -163.049 Base-Backbone interact. energy: 1.106 local terms energy: -279.081362 where: bonds (distance) C4'-P energy: -83.822 bonds (distance) P-C4' energy: -71.335 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -44.788 tors. eta vs tors. theta energy: -0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -398.960488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.960488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.960488 (E_RNA) where: Base-Base interactions energy: -153.200 where: short stacking energy: -94.668 Base-Backbone interact. energy: -3.352 local terms energy: -242.408514 where: bonds (distance) C4'-P energy: -83.043 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -63.855 flat angles P-C4'-P energy: -46.433 tors. eta vs tors. theta energy: 18.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1595.089647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.089647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.089647 (E_RNA) where: Base-Base interactions energy: -1111.660 where: short stacking energy: -459.627 Base-Backbone interact. energy: -1.588 local terms energy: -481.841859 where: bonds (distance) C4'-P energy: -105.426 bonds (distance) P-C4' energy: -85.491 flat angles C4'-P-C4' energy: -94.528 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -133.128 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: 1 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1480.572690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.572690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.572690 (E_RNA) where: Base-Base interactions energy: -1004.607 where: short stacking energy: -439.253 Base-Backbone interact. energy: -1.351 local terms energy: -474.614787 where: bonds (distance) C4'-P energy: -94.029 bonds (distance) P-C4' energy: -92.035 flat angles C4'-P-C4' energy: -91.436 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -130.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1291.978096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.978096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.978096 (E_RNA) where: Base-Base interactions energy: -818.910 where: short stacking energy: -382.517 Base-Backbone interact. energy: 1.500 local terms energy: -474.568082 where: bonds (distance) C4'-P energy: -103.944 bonds (distance) P-C4' energy: -100.299 flat angles C4'-P-C4' energy: -101.992 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: -111.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1263.995592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.995592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.995592 (E_RNA) where: Base-Base interactions energy: -849.008 where: short stacking energy: -387.846 Base-Backbone interact. energy: -0.883 local terms energy: -414.104279 where: bonds (distance) C4'-P energy: -88.531 bonds (distance) P-C4' energy: -80.077 flat angles C4'-P-C4' energy: -75.516 flat angles P-C4'-P energy: -48.865 tors. eta vs tors. theta energy: -121.115 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: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1142.302175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.302175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.302175 (E_RNA) where: Base-Base interactions energy: -736.037 where: short stacking energy: -336.120 Base-Backbone interact. energy: -3.004 local terms energy: -403.261477 where: bonds (distance) C4'-P energy: -79.055 bonds (distance) P-C4' energy: -87.010 flat angles C4'-P-C4' energy: -90.099 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -87.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -917.736542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.736542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.736542 (E_RNA) where: Base-Base interactions energy: -560.523 where: short stacking energy: -268.987 Base-Backbone interact. energy: -1.840 local terms energy: -355.372921 where: bonds (distance) C4'-P energy: -85.319 bonds (distance) P-C4' energy: -87.463 flat angles C4'-P-C4' energy: -95.368 flat angles P-C4'-P energy: -43.886 tors. eta vs tors. theta energy: -43.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -834.638467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.638467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.638467 (E_RNA) where: Base-Base interactions energy: -483.435 where: short stacking energy: -264.680 Base-Backbone interact. energy: -1.121 local terms energy: -350.082497 where: bonds (distance) C4'-P energy: -75.543 bonds (distance) P-C4' energy: -94.765 flat angles C4'-P-C4' energy: -75.421 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -58.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -727.815092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.815092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.815092 (E_RNA) where: Base-Base interactions energy: -426.846 where: short stacking energy: -231.401 Base-Backbone interact. energy: 3.875 local terms energy: -304.843860 where: bonds (distance) C4'-P energy: -81.094 bonds (distance) P-C4' energy: -71.407 flat angles C4'-P-C4' energy: -67.080 flat angles P-C4'-P energy: -55.625 tors. eta vs tors. theta energy: -29.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -633.566181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.566181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.566181 (E_RNA) where: Base-Base interactions energy: -313.926 where: short stacking energy: -167.211 Base-Backbone interact. energy: -0.681 local terms energy: -318.959197 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -82.713 flat angles C4'-P-C4' energy: -82.911 flat angles P-C4'-P energy: -57.985 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -448.683255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.683255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.683255 (E_RNA) where: Base-Base interactions energy: -196.315 where: short stacking energy: -110.295 Base-Backbone interact. energy: 1.884 local terms energy: -254.251871 where: bonds (distance) C4'-P energy: -71.746 bonds (distance) P-C4' energy: -93.415 flat angles C4'-P-C4' energy: -65.983 flat angles P-C4'-P energy: -31.840 tors. eta vs tors. theta energy: 8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1570.636665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.636665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.636665 (E_RNA) where: Base-Base interactions energy: -1064.891 where: short stacking energy: -443.742 Base-Backbone interact. energy: 1.066 local terms energy: -506.811453 where: bonds (distance) C4'-P energy: -92.657 bonds (distance) P-C4' energy: -103.537 flat angles C4'-P-C4' energy: -103.748 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -132.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1466.379682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.379682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.379682 (E_RNA) where: Base-Base interactions energy: -992.298 where: short stacking energy: -419.090 Base-Backbone interact. energy: -2.369 local terms energy: -471.711892 where: bonds (distance) C4'-P energy: -95.882 bonds (distance) P-C4' energy: -100.849 flat angles C4'-P-C4' energy: -98.861 flat angles P-C4'-P energy: -58.073 tors. eta vs tors. theta energy: -118.047 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: 6 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1328.559544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.559544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.559544 (E_RNA) where: Base-Base interactions energy: -844.416 where: short stacking energy: -408.515 Base-Backbone interact. energy: -1.196 local terms energy: -482.947386 where: bonds (distance) C4'-P energy: -87.315 bonds (distance) P-C4' energy: -101.394 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -69.470 tors. eta vs tors. theta energy: -119.855 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: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1285.879624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.879624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.879624 (E_RNA) where: Base-Base interactions energy: -850.638 where: short stacking energy: -378.012 Base-Backbone interact. energy: -2.978 local terms energy: -432.263966 where: bonds (distance) C4'-P energy: -94.914 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -85.652 flat angles P-C4'-P energy: -64.630 tors. eta vs tors. theta energy: -100.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1144.463882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.463882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.463882 (E_RNA) where: Base-Base interactions energy: -728.968 where: short stacking energy: -334.095 Base-Backbone interact. energy: -0.197 local terms energy: -415.298566 where: bonds (distance) C4'-P energy: -74.121 bonds (distance) P-C4' energy: -80.897 flat angles C4'-P-C4' energy: -84.895 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -104.354 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: 6, replica: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -928.222683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.222683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.222683 (E_RNA) where: Base-Base interactions energy: -562.499 where: short stacking energy: -278.105 Base-Backbone interact. energy: -0.038 local terms energy: -365.685730 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -89.185 flat angles C4'-P-C4' energy: -82.353 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -56.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -836.439836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.439836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.439836 (E_RNA) where: Base-Base interactions energy: -510.498 where: short stacking energy: -250.452 Base-Backbone interact. energy: 4.948 local terms energy: -330.890038 where: bonds (distance) C4'-P energy: -76.009 bonds (distance) P-C4' energy: -80.020 flat angles C4'-P-C4' energy: -81.756 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -44.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -693.400660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.400660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.400660 (E_RNA) where: Base-Base interactions energy: -413.219 where: short stacking energy: -223.757 Base-Backbone interact. energy: 6.184 local terms energy: -286.366276 where: bonds (distance) C4'-P energy: -82.934 bonds (distance) P-C4' energy: -77.000 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -44.713 tors. eta vs tors. theta energy: -14.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -586.136932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.136932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.136932 (E_RNA) where: Base-Base interactions energy: -333.423 where: short stacking energy: -166.280 Base-Backbone interact. energy: -1.710 local terms energy: -251.003651 where: bonds (distance) C4'-P energy: -65.545 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -71.967 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: 2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -457.835739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.835739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.835739 (E_RNA) where: Base-Base interactions energy: -212.380 where: short stacking energy: -132.509 Base-Backbone interact. energy: -3.942 local terms energy: -241.513945 where: bonds (distance) C4'-P energy: -71.047 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -69.756 flat angles P-C4'-P energy: -18.006 tors. eta vs tors. theta energy: 7.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1574.966725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.966725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.966725 (E_RNA) where: Base-Base interactions energy: -1066.372 where: short stacking energy: -474.917 Base-Backbone interact. energy: -2.427 local terms energy: -506.167372 where: bonds (distance) C4'-P energy: -89.028 bonds (distance) P-C4' energy: -99.412 flat angles C4'-P-C4' energy: -105.881 flat angles P-C4'-P energy: -72.257 tors. eta vs tors. theta energy: -139.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1467.147697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.147697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.147697 (E_RNA) where: Base-Base interactions energy: -990.157 where: short stacking energy: -426.889 Base-Backbone interact. energy: -3.266 local terms energy: -473.725020 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -83.965 flat angles C4'-P-C4' energy: -100.344 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: -120.944 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: 6 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1317.052327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.052327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.052327 (E_RNA) where: Base-Base interactions energy: -856.655 where: short stacking energy: -418.964 Base-Backbone interact. energy: 0.665 local terms energy: -461.062393 where: bonds (distance) C4'-P energy: -80.221 bonds (distance) P-C4' energy: -82.968 flat angles C4'-P-C4' energy: -112.068 flat angles P-C4'-P energy: -65.626 tors. eta vs tors. theta energy: -120.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1277.503798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.503798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.503798 (E_RNA) where: Base-Base interactions energy: -820.617 where: short stacking energy: -383.644 Base-Backbone interact. energy: -3.595 local terms energy: -453.292031 where: bonds (distance) C4'-P energy: -84.617 bonds (distance) P-C4' energy: -91.224 flat angles C4'-P-C4' energy: -97.256 flat angles P-C4'-P energy: -52.383 tors. eta vs tors. theta energy: -127.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1159.888749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.888749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.888749 (E_RNA) where: Base-Base interactions energy: -733.545 where: short stacking energy: -354.738 Base-Backbone interact. energy: 1.029 local terms energy: -427.373005 where: bonds (distance) C4'-P energy: -87.946 bonds (distance) P-C4' energy: -74.240 flat angles C4'-P-C4' energy: -98.400 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -103.787 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: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -985.930100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.930100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.930100 (E_RNA) where: Base-Base interactions energy: -629.653 where: short stacking energy: -295.489 Base-Backbone interact. energy: -3.061 local terms energy: -353.216187 where: bonds (distance) C4'-P energy: -83.380 bonds (distance) P-C4' energy: -77.585 flat angles C4'-P-C4' energy: -89.168 flat angles P-C4'-P energy: -45.365 tors. eta vs tors. theta energy: -57.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -779.013757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.013757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.013757 (E_RNA) where: Base-Base interactions energy: -453.210 where: short stacking energy: -239.171 Base-Backbone interact. energy: -2.070 local terms energy: -323.733239 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -76.044 flat angles C4'-P-C4' energy: -80.400 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -32.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -701.378577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.378577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.378577 (E_RNA) where: Base-Base interactions energy: -394.299 where: short stacking energy: -180.201 Base-Backbone interact. energy: 0.390 local terms energy: -307.469278 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -78.426 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -19.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -614.018253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.018253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.018253 (E_RNA) where: Base-Base interactions energy: -325.510 where: short stacking energy: -180.813 Base-Backbone interact. energy: -1.022 local terms energy: -287.486478 where: bonds (distance) C4'-P energy: -80.176 bonds (distance) P-C4' energy: -69.270 flat angles C4'-P-C4' energy: -68.594 flat angles P-C4'-P energy: -54.596 tors. eta vs tors. theta energy: -14.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -480.360849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.360849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.360849 (E_RNA) where: Base-Base interactions energy: -227.704 where: short stacking energy: -141.764 Base-Backbone interact. energy: 2.555 local terms energy: -255.211539 where: bonds (distance) C4'-P energy: -60.809 bonds (distance) P-C4' energy: -81.114 flat angles C4'-P-C4' energy: -80.420 flat angles P-C4'-P energy: -41.216 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) replica 8 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 98927119 moves confirmed later: 110357697 all moves confirmed: 209284816 percent of confirmed moves: 26.160602 current total energy: -1472.717924 recalc. total energy: -1472.717924 replica 1 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 83599722 moves confirmed later: 91207543 all moves confirmed: 174807265 percent of confirmed moves: 21.850908 current total energy: -1368.945008 recalc. total energy: -1368.945008 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 102493565 moves confirmed later: 115259649 all moves confirmed: 217753214 percent of confirmed moves: 27.219152 current total energy: -1210.250903 recalc. total energy: -1210.250903 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 103289080 moves confirmed later: 116046100 all moves confirmed: 219335180 percent of confirmed moves: 27.416898 current total energy: -1210.017732 recalc. total energy: -1210.017732 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 116583423 moves confirmed later: 133528052 all moves confirmed: 250111475 percent of confirmed moves: 31.263934 current total energy: -990.489285 recalc. total energy: -990.489285 replica 10 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 154425319 moves confirmed later: 183629400 all moves confirmed: 338054719 percent of confirmed moves: 42.256840 current total energy: -810.333264 recalc. total energy: -810.333264 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 114230794 moves confirmed later: 130992163 all moves confirmed: 245222957 percent of confirmed moves: 30.652870 current total energy: -624.482537 recalc. total energy: -624.482537 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 164949316 moves confirmed later: 196806061 all moves confirmed: 361755377 percent of confirmed moves: 45.219422 current total energy: -545.164423 recalc. total energy: -545.164423 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 176009948 moves confirmed later: 211359075 all moves confirmed: 387369023 percent of confirmed moves: 48.421128 current total energy: -456.685699 recalc. total energy: -456.685699 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 150342827 moves confirmed later: 177126645 all moves confirmed: 327469472 percent of confirmed moves: 40.933684 current total energy: -352.154657 recalc. total energy: -352.154657 out arg RESULTS//1/U5-4c8d3ca5_01 Time of doing 8000000 iterations: 26005.641 seconds